data_2k5l_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 2k5l _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 ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 108.762 -0.829 . . . . 74.010000000000005 108.762 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.409 ' HB2' ' HG3' ' A' ' 5' ' ' ARG . 1.9 m -105.3 176.15 5.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.984 -0.553 . . . . 64.430000000000007 110.38 -175.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.555 HD13 HG11 ' A' ' 72' ' ' VAL . 44.6 tp -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 63.439999999999998 110.188 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 7.0 ppt_? -79.57 -6.43 57.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 74.519999999999996 111.336 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -88.69 -5.97 57.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 64.319999999999993 110.376 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.11 151.1 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 72.340000000000003 110.462 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -98.9 149.53 22.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 65.439999999999998 109.995 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.44 ' HB3' HG21 ' A' ' 44' ' ' VAL . 1.5 p -69.69 110.65 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.295 0.569 . . . . 72.519999999999996 110.358 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.02 -9.69 6.68 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.387 -0.824 . . . . 51.219999999999999 111.279 -173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.672 ' HB3' HD22 ' A' ' 74' ' ' LEU . 97.2 mt-30 -101.01 165.71 11.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 54.039999999999999 110.824 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -118.05 121.02 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 72.310000000000002 110.449 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.45 HG21 ' HB ' ' A' ' 39' ' ' ILE . 27.9 m -116.97 164.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.041 0.448 . . . . 64.120000000000005 110.668 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -133.49 137.49 45.68 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.85 -0.614 . . . . 65.409999999999997 110.038 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.517 ' HA ' HG12 ' A' ' 72' ' ' VAL . 44.1 t -77.09 131.06 35.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.992 -0.549 . . . . 74.25 110.737 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.535 HG21 ' HG2' ' A' ' 71' ' ' GLU . 4.6 m -115.62 -58.13 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.391 -0.368 . . . . 74.409999999999997 110.992 176.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.526 ' H ' HG21 ' A' ' 16' ' ' VAL . 99.1 mttt -118.02 160.5 21.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 74.420000000000002 110.638 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -130.78 110.12 11.1 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.249 -0.648 . . . . 73.239999999999995 109.249 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.618 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 61.0 m-70 -86.83 163.65 17.1 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.003 -0.369 . . . . 64.530000000000001 110.003 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.51 178.0 15.45 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 72.450000000000003 112.59 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -81.27 31.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.212 0.449 . . . . 75.230000000000004 112.212 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.94 -61.36 4.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.896 -0.669 . . . . 74.519999999999996 112.636 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.37 -37.32 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 74.439999999999998 111.171 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 28' ' ' ILE . 59.4 tp -62.74 -43.51 98.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 63.32 110.085 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.2 -42.04 94.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.994 -0.548 . . . . 74.219999999999999 110.206 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -61.21 -42.57 98.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.556 -0.747 . . . . 75.340000000000003 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.11 -45.65 87.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 61.439999999999998 110.278 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.543 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 88.5 mt -58.56 -50.21 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 64.140000000000001 111.217 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 71.2 mtm -67.76 -30.62 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.019999999999996 111.665 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.75 -35.14 78.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 72.310000000000002 110.818 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.543 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 66.5 mtm -74.12 -17.68 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.943 -0.571 . . . . 53.130000000000003 111.353 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.21 -20.33 7.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.781 . . . . 64.109999999999999 112.321 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.427 ' HB ' ' CG2' ' A' ' 28' ' ' ILE . 21.9 mm -69.87 102.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.344 -0.613 . . . . 72.099999999999994 109.344 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.742 ' HG1' HH21 ' A' ' 56' ' ' ARG . 1.1 p -126.75 156.31 41.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.25 -0.432 . . . . 72.209999999999994 112.136 -170.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.4 106.4 2.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 73.329999999999998 110.397 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.27 -26.22 5.84 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.032 -0.604 . . . . 74.030000000000001 112.51 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 p -71.71 144.37 49.33 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.991 0.396 . . . . 71.030000000000001 110.283 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.33 141.33 28.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 71.510000000000005 109.919 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.604 HG12 HG23 ' A' ' 55' ' ' VAL . 54.2 mt -124.46 116.27 47.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 54.009999999999998 110.262 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -91.05 108.75 20.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.777 -0.823 . . . . 73.120000000000005 108.777 174.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' HA ' HG22 ' A' ' 53' ' ' ILE . 13.5 mm -68.53 113.51 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.591 -0.522 . . . . 64.400000000000006 109.591 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -88.99 -56.42 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.178 -0.465 . . . . 63.43 111.113 -171.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . 58.1 tptt -147.92 123.64 10.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.791 0.329 . . . . 73.109999999999999 111.041 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.44 HG21 ' HB3' ' A' ' 9' ' ' CYS . 58.5 t -108.97 121.19 61.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.518 -0.549 . . . . 75.450000000000003 109.518 175.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.27 145.55 98.63 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 73.049999999999997 110.728 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.013 2.475 . . . . 72.530000000000001 112.685 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.2 -10.96 59.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.283 0.563 . . . . 72.319999999999993 110.137 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.33 -19.25 55.11 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.492 -0.776 . . . . 74.310000000000002 111.393 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.89 ' HD2' HH11 ' A' ' 63' ' ' ARG . 31.7 t70 -144.63 141.74 18.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.424 -0.388 . . . . 62.340000000000003 110.119 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.444 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 85.7 Cg_endo -90.96 171.32 24.89 Favored 'Cis proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.508 -1.455 . . . . 62.310000000000002 112.718 -2.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.488 HG22 HG23 ' A' ' 53' ' ' ILE . 65.2 mt -107.7 117.39 53.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 72.540000000000006 110.568 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 43' ' ' LYS . 2.2 mp0 -84.34 121.49 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 109.962 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.488 HG23 HG22 ' A' ' 51' ' ' ILE . 24.4 pt -135.72 151.31 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.011 -0.54 . . . . 73.230000000000004 110.632 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 44.7 t-20 -110.53 112.1 23.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.374 -0.602 . . . . 73.049999999999997 109.374 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.775 HG12 ' HG2' ' A' ' 56' ' ' ARG . 43.1 t -129.98 130.99 66.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 75.430000000000007 110.223 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.775 ' HG2' HG12 ' A' ' 55' ' ' VAL . 28.3 mmt180 62.73 15.68 8.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.079 -0.509 . . . . 63.409999999999997 111.501 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.92 -7.01 60.48 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.934 -0.651 . . . . 73.140000000000001 112.202 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -101.14 128.39 47.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.675 -0.491 . . . . 75.349999999999994 109.675 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 32.4 tt0 -103.49 114.67 29.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.523 0.678 . . . . 72.319999999999993 109.304 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 pp -139.98 174.89 10.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.194 -0.912 . . . . 74.519999999999996 111.344 -171.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.7 m -107.92 124.05 49.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.802 -0.635 . . . . 74.25 109.966 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.4 tp -106.37 134.55 49.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.39 -0.596 . . . . 74.340000000000003 109.39 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.89 HH11 ' HD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -65.52 137.35 57.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.956 -0.565 . . . . 72.310000000000002 110.249 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.89 61.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 51.340000000000003 110.69 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -52.87 -46.16 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 62.149999999999999 110.661 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.51 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.09 -44.34 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 54.219999999999999 110.683 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.61 65.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.186 0.517 . . . . 75.310000000000002 111.63 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -79.24 -10.96 59.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.706 -0.679 . . . . 75.25 110.982 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.864 ' HA ' ' HE1' ' A' ' 69' ' ' MET . 0.4 OUTLIER -109.91 -19.25 13.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 71.109999999999999 110.901 -177.287 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 66' ' ' ALA . 74.5 mt -75.84 134.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 71.510000000000005 110.965 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.535 ' HG2' HG21 ' A' ' 16' ' ' VAL . 3.2 tt0 -99.22 112.86 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 74.540000000000006 110.072 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 4' ' ' LEU . 29.3 m -126.55 170.77 16.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.207 -0.451 . . . . 73.400000000000006 110.528 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.33 136.54 53.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.055 -0.52 . . . . 75.239999999999995 110.162 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 11' ' ' GLN . 1.2 tm? . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 108.298 -1.001 . . . . 73.340000000000003 108.298 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.8 t80 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.441 -0.577 . . . . 52.450000000000003 109.441 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.506 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 85.0 p -97.07 173.87 7.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.324 -0.398 . . . . 60.119999999999997 110.277 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.596 HD13 HG11 ' A' ' 72' ' ' VAL . 23.9 tp -65.33 -19.07 65.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.392 0.615 . . . . 52.039999999999999 110.018 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -74.36 -23.87 59.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.161 -0.927 . . . . 62.329999999999998 111.31 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.32 -12.41 58.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.55 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.22 148.53 29.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.97 0.414 . . . . 62.240000000000002 110.91 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' OE1' ' A' ' 11' ' ' GLN . 35.3 mmtp -101.54 170.8 7.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 72.219999999999999 110.852 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.64 103.68 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.784 -0.644 . . . . 72.409999999999997 111.442 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.64 -24.48 6.44 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.819 -0.628 . . . . 72.430000000000007 112.123 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 10.4 mp0 -71.48 124.62 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.745 0.307 . . . . 70.519999999999996 110.591 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -99.19 110.48 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 72.349999999999994 110.287 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG12 HD13 ' A' ' 74' ' ' LEU . 33.2 m -113.38 170.47 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.07 -0.514 . . . . 65.310000000000002 110.379 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 5.7 tmmm? -130.6 128.36 40.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.8 -0.445 . . . . 75.299999999999997 109.8 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.686 HG21 HD11 ' A' ' 39' ' ' ILE . 78.7 t -70.49 127.8 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 71.140000000000001 110.844 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.17 -35.7 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 64.329999999999998 112.142 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 35.5 ttpt -141.45 148.84 40.17 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.883 0.373 . . . . 64.329999999999998 110.132 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -120.14 117.65 28.47 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.952 -0.388 . . . . 72.209999999999994 109.952 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -73.43 -31.39 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.872 -0.603 . . . . 55.140000000000001 111.137 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.608 ' HA3' ' HB3' ' A' ' 24' ' ' LEU . . . -56.22 123.23 30.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.873 -0.68 . . . . 75.109999999999999 111.86 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -70.8 85.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.596 . . . . 54.229999999999997 111.783 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.673 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . 72.16 -75.32 0.79 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.085 -0.961 . . . . 50.399999999999999 114.113 172.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.14 79.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 70.150000000000006 110.935 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.608 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . 1.7 tm? -68.63 -41.21 79.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.956 -0.566 . . . . 62.130000000000003 110.211 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.673 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -70.41 -27.68 64.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 41.109999999999999 110.939 -176.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -77.46 -36.34 52.99 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.503 -0.554 . . . . 63.130000000000003 109.503 177.109 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -58.04 -45.28 87.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.719 -0.673 . . . . 74.019999999999996 110.689 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.481 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 52.6 mt -57.95 -40.68 77.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.213 0.53 . . . . 65.340000000000003 110.378 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.07 -30.34 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 71.209999999999994 110.898 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.89 -31.46 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 71.230000000000004 111.574 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.481 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 4.4 mpp? -79.72 -12.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.971 -0.291 . . . . 72.530000000000001 111.033 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.61 4.65 28.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.484 -0.865 . . . . 72.510000000000005 112.895 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 33' ' ' ILE . 4.2 mp -104.92 114.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.928 -0.397 . . . . 54.119999999999997 109.928 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -139.17 170.05 16.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.805 0.336 . . . . 65.239999999999995 110.281 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -63.13 131.42 48.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.013 -0.54 . . . . 65.319999999999993 111.102 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.4 -17.36 47.27 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.712 -0.676 . . . . 65.299999999999997 112.351 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.0 m -88.41 154.34 20.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.37 . . . . 73.400000000000006 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.49 128.14 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.564 . . . . 63.219999999999999 110.516 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.686 HD11 HG21 ' A' ' 15' ' ' VAL . 4.5 mp -125.06 122.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 64.319999999999993 109.856 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 30.3 p90 -114.89 135.91 53.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.535 -0.543 . . . . 74.019999999999996 109.535 172.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 mm -75.74 138.39 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.94 -0.573 . . . . 75.099999999999994 110.751 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -87.77 -53.29 4.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.943 -0.571 . . . . 61.32 109.907 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.05 139.34 22.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 72.200000000000003 110.689 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.46 111.73 36.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.023 -0.732 . . . . 54.020000000000003 109.023 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 143.57 91.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.53 -0.305 . . . . 52.32 110.563 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.66 -9.16 23.42 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.843 2.362 . . . . 74.239999999999995 112.972 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.1 mt -87.46 -10.89 50.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 71.439999999999998 109.896 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.43 -30.19 9.54 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.261 -0.736 . . . . 73.120000000000005 111.261 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.578 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 2.2 p-10 -151.47 161.33 29.97 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 109.044 -0.725 . . . . 72.140000000000001 109.044 175.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.578 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 78.1 Cg_endo -78.41 159.46 92.32 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.417 -1.493 . . . . 64.409999999999997 113.138 -0.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -102.97 113.89 41.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.419 -0.809 . . . . 73.219999999999999 109.626 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -87.82 119.49 28.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.514 -0.55 . . . . 73.120000000000005 109.514 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.516 HD12 ' HB2' ' A' ' 60' ' ' LEU . 2.8 pp -121.12 155.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.594 0.235 . . . . 74.5 110.931 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -116.84 108.89 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.872 -0.418 . . . . 72.200000000000003 109.872 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.841 HG12 ' HG2' ' A' ' 56' ' ' ARG . 26.4 t -141.93 140.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.378 -0.601 . . . . 62.5 109.378 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.841 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.2 mmm180 65.29 17.01 10.84 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.328 0.392 . . . . 73.340000000000003 110.731 177.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 -2.92 87.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.975 -0.631 . . . . 44.009999999999998 112.267 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.548 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 96.2 m-85 -98.89 142.84 29.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.754 -0.263 . . . . 74.129999999999995 110.955 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.08 109.98 21.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.843 -0.799 . . . . 74.129999999999995 108.843 167.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.516 ' HB2' HD12 ' A' ' 53' ' ' ILE . 90.7 mt -114.69 132.32 56.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.073 0.463 . . . . 64.329999999999998 111.539 -172.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -84.58 106.5 16.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.323 -0.853 . . . . 72.530000000000001 109.17 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -105.93 134.66 48.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.925 0.393 . . . . 75.150000000000006 110.059 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HD3' ' H ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.093 -0.503 . . . . 65.040000000000006 109.832 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.671 ' HZ1' ' HE2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.87 -27.72 60.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 74.299999999999997 111.622 -178.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.46 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 5.6 m -58.55 -44.41 89.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 73.129999999999995 110.672 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.53 -37.78 59.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.169 -0.469 . . . . 74.310000000000002 110.618 176.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . -60.73 -30.83 70.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.057 -0.52 . . . . 50.409999999999997 111.539 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.671 ' HE2' ' HZ1' ' A' ' 64' ' ' LYS . 41.5 mt-10 -64.36 -34.09 77.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.183 0.516 . . . . 75.439999999999998 110.788 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.4 mtt -87.23 0.6 55.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 74.140000000000001 111.186 -174.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.526 HG22 HG13 ' A' ' 72' ' ' VAL . 59.8 mt -98.58 109.69 24.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.919 0.39 . . . . 74.310000000000002 110.647 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.8 tp10 -83.7 112.1 19.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.914 -0.773 . . . . 71.349999999999994 108.914 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.596 HG11 HD13 ' A' ' 4' ' ' LEU . 29.8 m -119.69 161.14 19.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.186 0.517 . . . . 74.519999999999996 111.24 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -123.2 133.62 54.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.341 -0.845 . . . . 72.420000000000002 109.263 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.433 HD13 HG12 ' A' ' 13' ' ' VAL . 20.9 tp . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.461 -0.336 . . . . 51.329999999999998 110.395 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.748 ' H ' ' HE2' ' A' ' 71' ' ' GLU . 25.8 t80 . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 108.597 -0.89 . . . . 62.43 108.597 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.563 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 27.2 p -86.73 159.45 19.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.072 -0.513 . . . . 72.340000000000003 111.197 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.599 ' CD1' HG22 ' A' ' 13' ' ' VAL . 52.5 tp -63.61 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.725 -0.67 . . . . 74.010000000000005 110.62 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.553 ' HG2' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -71.23 -33.38 69.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.709 -0.678 . . . . 74.310000000000002 110.073 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.97 -30.82 70.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.124 -0.489 . . . . 74.340000000000003 111.464 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 159.57 30.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.783 0.325 . . . . 61.25 110.802 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -108.24 -178.67 3.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.77 0.319 . . . . 73.329999999999998 110.615 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.4 m -68.77 144.43 54.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 53.140000000000001 110.956 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . 87.52 2.11 82.68 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.961 -0.637 . . . . 62.539999999999999 113.081 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.26 149.69 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.175 0.512 . . . . 74.319999999999993 110.988 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.4 m -103.93 114.65 29.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.423 -0.808 . . . . 54.409999999999997 110.455 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.599 HG22 ' CD1' ' A' ' 4' ' ' LEU . 29.5 m -114.93 134.59 57.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 70.140000000000001 111.212 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -94.87 134.66 37.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.188 -0.46 . . . . 72.329999999999998 110.165 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.693 HG22 HG23 ' A' ' 33' ' ' ILE . 24.3 t -77.77 114.59 18.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 75.019999999999996 110.53 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 m -115.01 -47.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.283 0.475 . . . . 65.120000000000005 112.283 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.845 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 94.9 mttt -133.01 151.75 52.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 74.239999999999995 111.198 -176.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -127.37 107.83 10.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.614 -0.721 . . . . 72.030000000000001 109.649 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -87.2 -3.84 59.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 73.400000000000006 111.022 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.14 166.36 52.57 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.919 -0.582 . . . . 70.219999999999999 112.982 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.5 p -76.54 176.24 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.226 0.21 . . . . 55.0 110.829 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.33 94.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.226 -0.511 . . . . 74.530000000000001 113.372 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 72.340000000000003 111.093 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' O ' HG13 ' A' ' 28' ' ' ILE . 4.6 mm? -64.51 -49.2 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 53.020000000000003 110.452 178.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 21' ' ' THR . 14.0 ttmt -53.99 -49.84 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 73.430000000000007 111.109 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -56.41 -47.34 79.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 72.219999999999999 111.357 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' A' ' 31' ' ' MET . 59.6 ttt180 -66.65 -41.53 88.07 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 41.200000000000003 110.371 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.505 ' HA ' ' HE1' ' A' ' 31' ' ' MET . 73.3 mt -61.98 -41.59 91.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.512 0.672 . . . . 71.409999999999997 110.291 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.1 mtm -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 73.109999999999999 111.104 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.18 -29.29 70.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 75.420000000000002 110.487 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 34.2 mtt -72.65 -14.65 61.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 71.010000000000005 110.805 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.17 3.0 38.83 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.423 -0.671 . . . . 53.240000000000002 111.423 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.693 HG23 HG22 ' A' ' 15' ' ' VAL . 57.3 mt -94.16 91.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.376 -0.602 . . . . 71.129999999999995 109.376 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -121.66 -57.46 1.81 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 73.129999999999995 112.278 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -175.35 137.74 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.253 -0.885 . . . . 73.510000000000005 110.1 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.55 -28.79 2.68 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.025 -0.607 . . . . 60.200000000000003 113.398 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 74.420000000000002 110.466 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 130.18 53.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.743 -0.662 . . . . 73.040000000000006 109.853 175.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.455 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 66.5 mt -109.03 123.81 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 115.353 -0.839 . . . . 71.129999999999995 110.493 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.448 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 71.0 t80 -86.99 108.8 19.0 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.231 -0.895 . . . . 74.349999999999994 109.819 172.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.48 110.61 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.201 -0.666 . . . . 64.0 109.201 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -51.74 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.010000000000005 110.572 -172.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -159.01 123.01 3.91 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.403 -0.519 . . . . 70.209999999999994 111.336 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.819 HG13 HG12 ' A' ' 51' ' ' ILE . 42.4 t -97.31 130.06 46.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.886 -0.597 . . . . 75.510000000000005 109.491 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.74 144.19 90.59 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.463 -0.335 . . . . 55.210000000000001 110.291 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.91 -19.85 69.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.675 2.25 . . . . 74.430000000000007 112.043 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.01 -25.1 62.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.361 0.6 . . . . 74.219999999999999 110.039 175.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . 95.13 -15.07 64.13 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.246 -0.888 . . . . 53.350000000000001 111.693 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.845 ' HD2' HH21 ' A' ' 63' ' ' ARG . 26.3 t70 -144.61 125.55 7.68 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.527 -0.336 . . . . 64.510000000000005 110.149 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 89.6 Cg_endo -94.61 -174.7 5.19 Favored 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.398 -1.501 . . . . 72.319999999999993 112.643 -4.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.819 HG12 HG13 ' A' ' 44' ' ' VAL . 64.4 mt -112.23 135.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.696 -0.684 . . . . 72.109999999999999 110.013 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -96.87 113.94 25.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 75.5 110.226 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.455 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 27.9 pt -119.77 136.92 55.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.462 -0.336 . . . . 63.439999999999998 110.296 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -93.72 109.33 21.0 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.481 -0.488 . . . . 72.0 110.62 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.933 HG12 ' HG2' ' A' ' 56' ' ' ARG . 62.5 t -131.85 137.8 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.468 -0.787 . . . . 63.009999999999998 108.992 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.933 ' HG2' HG12 ' A' ' 55' ' ' VAL . 10.0 mmt180 63.96 21.08 12.49 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.364 0.415 . . . . 65.519999999999996 110.689 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.27 17.15 72.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.985 -0.626 . . . . 44.450000000000003 112.477 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -137.04 137.95 39.92 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.866 -0.42 . . . . 75.299999999999997 109.866 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.77 110.6 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.504 0.669 . . . . 75.239999999999995 110.419 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 31' ' ' MET . 55.8 mt -95.14 137.03 34.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.082 -0.963 . . . . 72.140000000000001 110.052 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.6 m -85.69 105.65 16.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.025 0.44 . . . . 64.209999999999994 110.46 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD21 HD21 ' A' ' 4' ' ' LEU . 30.5 tp -106.49 125.59 51.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.0 -0.546 . . . . 64.010000000000005 109.528 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.845 HH21 ' HD2' ' A' ' 49' ' ' ASP . 22.3 mtp180 -72.44 156.27 39.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.281 -0.418 . . . . 62.219999999999999 111.239 -176.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -60.41 -25.89 66.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.954 -0.566 . . . . 75.329999999999998 111.577 -177.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.488 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 13.0 m -59.55 -48.83 80.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 72.209999999999994 110.394 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.45 -38.45 55.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.903 -0.589 . . . . 72.450000000000003 110.818 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.23 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 35.140000000000001 111.691 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.457 ' OE1' ' HA ' ' A' ' 68' ' ' GLU . 5.0 mm-40 -85.41 3.57 39.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.457 -0.338 . . . . 70.109999999999999 111.239 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.5 tpp -113.96 -16.99 12.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.168 0.509 . . . . 74.420000000000002 111.045 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.563 ' O ' ' HA ' ' A' ' 3' ' ' SER . 70.5 mt -87.32 134.93 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 71.200000000000003 110.994 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.845 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 7.7 tp10 -98.09 115.38 28.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.981 -0.748 . . . . 73.230000000000004 108.981 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.503 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 20.5 m -122.71 178.55 3.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.048 0.451 . . . . 73.340000000000003 111.074 -177.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -136.79 130.71 32.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.619 -0.718 . . . . 74.340000000000003 109.928 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.53 HD23 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 108.052 -1.092 . . . . 75.310000000000002 108.052 173.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.27 0.557 . . . . 73.409999999999997 109.605 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -92.58 156.91 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.621 -0.718 . . . . 74.450000000000003 110.26 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.637 HD13 HG22 ' A' ' 13' ' ' VAL . 38.6 tp -61.97 -29.55 70.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.134 0.492 . . . . 72.239999999999995 110.317 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.411 ' HD3' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -62.77 -29.28 70.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 73.049999999999997 110.494 175.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -91.33 -3.31 56.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.731 -0.668 . . . . 75.129999999999995 110.562 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 160.28 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 32.420000000000002 110.556 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.516 ' HB2' ' NE2' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -114.18 154.15 28.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.335 -0.393 . . . . 74.239999999999995 110.39 -178.037 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 p -64.44 153.41 38.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.577 . . . . 72.239999999999995 111.34 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.53 -4.73 82.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.041 -0.599 . . . . 64.310000000000002 112.671 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.516 ' NE2' ' HB2' ' A' ' 8' ' ' LYS . 48.2 mt-30 -114.6 165.44 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.874 0.368 . . . . 65.319999999999993 110.922 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.886 -0.597 . . . . 70.010000000000005 110.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.637 HG22 HD13 ' A' ' 4' ' ' LEU . 35.0 m -124.49 158.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.799 0.333 . . . . 62.25 111.097 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -112.17 122.6 48.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.949 -0.569 . . . . 74.040000000000006 109.546 174.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.874 HG22 HG23 ' A' ' 33' ' ' ILE . 43.3 t -72.34 121.92 23.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.773 -0.194 . . . . 62.439999999999998 110.668 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.41 HG21 ' HG2' ' A' ' 71' ' ' GLU . 4.1 m -113.07 -40.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 112.262 0.467 . . . . 64.200000000000003 112.262 -178.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 30.4 mtmt -134.17 127.0 31.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.287 0.565 . . . . 71.450000000000003 112.004 -178.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.43 103.77 15.15 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.515 -0.766 . . . . 52.210000000000001 109.116 175.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -76.61 -5.28 47.09 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.716 0.293 . . . . 73.5 110.721 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -65.62 123.51 25.0 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.947 -0.644 . . . . 71.310000000000002 111.535 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 p -77.39 88.85 3.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.499 0.555 . . . . 73.230000000000004 112.499 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 25' ' ' LYS . . . 67.85 -84.18 0.16 Allowed Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.489 -0.778 . . . . 41.310000000000002 114.037 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.251 0.548 . . . . 72.299999999999997 110.527 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.98 -46.84 67.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.431 -0.804 . . . . 71.239999999999995 110.758 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 20' ' ' GLY . 18.9 ptmt -67.73 -33.0 74.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.49 -0.323 . . . . 62.450000000000003 110.853 -174.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.926 ' HG3' ' HE1' ' A' ' 29' ' ' MET . 79.9 ttt180 -67.94 -45.19 74.98 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.555 -0.458 . . . . 74.340000000000003 110.633 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.42 -44.32 84.53 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 74.200000000000003 110.363 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.676 HG22 ' HB ' ' A' ' 33' ' ' ILE . 85.0 mt -61.69 -49.61 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.574 -0.739 . . . . 72.439999999999998 111.193 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.926 ' HE1' ' HG3' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -74.72 -30.0 61.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 73.25 111.66 -176.185 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.74 -33.61 73.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.036 0.446 . . . . 72.439999999999998 110.822 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.459 ' HE2' HD11 ' A' ' 62' ' ' LEU . 70.2 mtm -74.32 -22.75 59.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 74.140000000000001 111.194 176.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.86 -10.2 3.66 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.425 -0.893 . . . . 60.109999999999999 113.122 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.874 HG23 HG22 ' A' ' 15' ' ' VAL . 53.8 mt -86.51 77.58 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.274 0.559 . . . . 74.120000000000005 110.205 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.663 HG23 ' HB2' ' A' ' 29' ' ' MET . 17.6 p -102.66 22.89 12.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.523 0.935 . . . . 74.239999999999995 113.523 -169.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 34' ' ' THR . 52.6 ttp180 68.32 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.227 0.537 . . . . 74.049999999999997 110.351 -176.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.1 -12.63 68.55 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.818 -0.913 . . . . 55.310000000000002 110.818 -172.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -79.18 147.48 32.63 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.454 -0.573 . . . . 74.340000000000003 109.454 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.05 140.41 36.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.002 0.43 . . . . 74.030000000000001 110.112 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.701 HG12 HG23 ' A' ' 55' ' ' VAL . 51.2 mt -127.43 122.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.53 . . . . 62.229999999999997 110.627 -176.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' HD1' ' HD2' ' A' ' 42' ' ' ARG . 51.8 t80 -94.45 115.96 28.23 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.995 -0.742 . . . . 72.019999999999996 108.995 173.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.58 ' H ' HD13 ' A' ' 41' ' ' ILE . 4.1 mp -74.77 115.85 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.687 -0.486 . . . . 74.200000000000003 109.687 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.726 ' HD3' ' HB2' ' A' ' 54' ' ' ASN . 29.4 mmm180 -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 74.099999999999994 111.102 -173.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 1.9 tmtp? -156.01 133.05 10.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 72.510000000000005 110.17 -174.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 43.8 t -102.84 110.87 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.54 -0.541 . . . . 73.150000000000006 109.54 175.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -57.08 145.9 63.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 61.409999999999997 111.311 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 50.7 Cg_exo -54.12 -38.25 87.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.209 2.606 . . . . 75.439999999999998 113.123 -177.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' O ' HD13 ' A' ' 47' ' ' LEU . 3.1 tm? -74.58 -27.34 60.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.163 0.506 . . . . 71.010000000000005 110.037 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.81 -7.31 41.7 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.765 -0.731 . . . . 75.409999999999997 111.499 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 13.9 t70 -139.99 125.97 11.88 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.966 -0.383 . . . . 72.310000000000002 109.966 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 83.5 Cg_endo -95.87 177.48 9.59 Favored 'Cis proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.713 -1.37 . . . . 54.350000000000001 112.338 -4.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 51' ' ' ILE . 4.2 mp -99.59 127.1 52.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 74.120000000000005 109.516 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.24 120.88 28.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.609 -0.515 . . . . 65.040000000000006 109.609 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.574 HD12 HD21 ' A' ' 62' ' ' LEU . 41.2 pt -132.34 153.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.564 -0.289 . . . . 73.209999999999994 110.819 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.726 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 46.5 t-20 -107.0 111.18 23.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.651 -0.5 . . . . 74.430000000000007 109.651 176.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.701 HG23 HG12 ' A' ' 39' ' ' ILE . 94.5 t -127.24 124.84 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 63.439999999999998 109.782 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.648 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmm180 65.89 18.59 11.14 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.447 0.467 . . . . 74.349999999999994 111.278 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.81 -6.02 76.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.991 -0.623 . . . . 54.219999999999999 111.928 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.48 130.78 44.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.675 0.274 . . . . 73.329999999999998 110.566 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -75.22 110.71 9.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.742 -0.836 . . . . 64.439999999999998 108.742 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -114.87 161.22 18.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.044 0.45 . . . . 73.420000000000002 110.874 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -127.52 114.33 17.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.786 -0.643 . . . . 70.519999999999996 110.307 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.574 HD21 HD12 ' A' ' 53' ' ' ILE . 3.6 mm? -106.18 137.15 44.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.31 -0.405 . . . . 63.399999999999999 110.309 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 63' ' ' ARG . 2.2 mpt_? -68.66 155.98 39.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.312 -0.403 . . . . 74.120000000000005 111.001 -178.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG3' ' HD3' ' A' ' 5' ' ' ARG . 80.5 tttt -56.88 -46.71 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.449 -0.796 . . . . 75.439999999999998 110.959 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 m -63.65 -33.57 75.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.661 -0.699 . . . . 51.219999999999999 111.328 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.95 -43.29 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 70.129999999999995 111.012 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.75 -23.39 65.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.252 -0.431 . . . . 70.230000000000004 111.813 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -84.58 -6.6 59.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 72.430000000000007 110.714 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 91.4 mtp -102.84 0.6 32.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 71.450000000000003 110.185 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.5 HG22 HG13 ' A' ' 72' ' ' VAL . 68.9 mt -99.69 114.21 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.747 -0.661 . . . . 74.439999999999998 110.214 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.6 tt0 -91.78 120.53 32.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.687 -0.688 . . . . 74.230000000000004 109.581 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -131.38 160.8 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.252 0.548 . . . . 71.420000000000002 111.868 -174.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.24 132.73 46.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.116 -0.947 . . . . 71.409999999999997 109.323 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.492 HD23 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 108.217 -1.031 . . . . 75.129999999999995 108.217 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.486 ' H ' ' HE2' ' A' ' 71' ' ' GLU . 37.9 t80 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.634 -0.506 . . . . 61.210000000000001 109.634 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 5.6 m -85.78 154.71 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.307 -0.406 . . . . 61.420000000000002 111.026 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.623 HD13 HG11 ' A' ' 72' ' ' VAL . 56.7 tp -61.34 -29.8 70.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 73.120000000000005 111.482 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.695 ' HE ' ' HE2' ' A' ' 68' ' ' GLU . 4.6 ppt_? -68.88 -6.39 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.602 0.593 . . . . 73.409999999999997 112.602 -177.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -90.15 -11.78 40.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.124 0.488 . . . . 73.25 110.797 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 157.54 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.005 -0.543 . . . . 64.230000000000004 110.113 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HB2' HE21 ' A' ' 11' ' ' GLN . 1.5 mptm? -115.79 176.34 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.896 0.379 . . . . 62.219999999999999 111.101 -176.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.545 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.6 p -66.28 140.17 58.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 73.439999999999998 112.214 -175.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 9.33 84.55 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.526 -0.761 . . . . 61.420000000000002 112.823 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.445 HE21 ' HB2' ' A' ' 8' ' ' LYS . 48.7 mt-30 -109.56 146.15 35.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.612 0.244 . . . . 72.129999999999995 110.369 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -102.45 121.67 42.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.222 -0.445 . . . . 73.400000000000006 110.607 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.506 HG12 HD13 ' A' ' 74' ' ' LEU . 35.7 m -119.35 151.27 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.375 -0.375 . . . . 73.219999999999999 110.523 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.992 0.425 . . . . 73.409999999999997 110.849 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.665 HG22 HG23 ' A' ' 33' ' ' ILE . 60.4 t -81.03 114.68 22.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.283 -0.871 . . . . 44.020000000000003 109.614 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -107.39 -39.9 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.674 -0.41 . . . . 73.5 112.062 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 2.8 tppp? -137.01 133.23 35.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 53.509999999999998 110.79 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.557 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 87.8 mt -108.45 118.6 37.19 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.254 -0.43 . . . . 71.519999999999996 109.849 176.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.827 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 62.7 m-70 -99.73 175.77 5.69 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 71.200000000000003 108.932 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.591 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 119.43 157.19 10.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 74.329999999999998 111.813 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -85.34 79.56 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.009 0.404 . . . . 65.299999999999997 111.736 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.44 -75.7 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 CA-C-N 115.65 -0.705 . . . . 44.149999999999999 114.85 171.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.42 84.92 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.654 0.382 . . . . 70.230000000000004 111.512 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 28' ' ' ILE . 55.2 tp -58.07 -45.82 86.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.340000000000003 110.168 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.591 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -57.81 -45.61 85.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 75.420000000000002 111.312 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -62.0 -43.65 98.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.014 0.435 . . . . 73.140000000000001 110.249 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.64 -40.23 96.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 74.430000000000007 110.614 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.594 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 92.6 mt -66.73 -49.58 73.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 74.450000000000003 110.841 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.482 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 73.7 mtm -66.39 -33.52 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 71.439999999999998 111.274 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.5 -36.65 78.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 74.420000000000002 111.474 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.594 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 67.7 mtm -72.82 -24.46 60.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 71.129999999999995 110.978 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.53 -20.26 4.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.78 . . . . 60.409999999999997 112.286 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.665 HG23 HG22 ' A' ' 15' ' ' VAL . 55.8 mt -67.25 110.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 71.230000000000004 110.449 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -134.82 165.29 25.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 72.0 111.308 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -67.97 114.15 6.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.463 . . . . 64.219999999999999 110.776 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.07 -1.73 44.23 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.758 -0.655 . . . . 71.099999999999994 113.015 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.4 p -86.15 140.43 30.2 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.38 0.59 . . . . 63.119999999999997 109.755 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -101.43 124.51 47.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.358 0.599 . . . . 71.239999999999995 110.122 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.51 HG12 HG23 ' A' ' 55' ' ' VAL . 58.4 mt -121.48 124.66 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.21 -0.904 . . . . 71.439999999999998 109.624 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 23.9 p90 -96.69 131.0 43.82 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.752 -0.833 . . . . 73.420000000000002 108.752 171.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.3 mt -79.99 126.33 39.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.231 -0.441 . . . . 73.409999999999997 109.952 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -76.01 -51.47 12.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 65.510000000000005 109.747 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 70.3 mttt -154.45 135.96 14.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 44.509999999999998 111.457 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 51' ' ' ILE . 50.5 t -111.75 117.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.114 -0.699 . . . . 51.350000000000001 109.114 172.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.69 143.61 92.74 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.098 -0.334 . . . . 64.230000000000004 110.098 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.9 Cg_exo -63.51 -11.52 26.42 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.169 2.579 . . . . 60.350000000000001 112.409 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -81.42 -10.41 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.665 -0.698 . . . . 65.450000000000003 110.22 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 -12.74 68.7 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.342 -0.703 . . . . 54.219999999999999 111.342 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.79 150.19 15.35 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.435 -0.58 . . . . 70.510000000000005 109.435 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -83.88 157.56 70.85 Favored 'Cis proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 -1.653 . . . . 71.120000000000005 112.216 -4.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.441 HG23 HG23 ' A' ' 44' ' ' VAL . 64.5 mt -102.48 118.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.844 -0.616 . . . . 52.530000000000001 109.53 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -91.0 113.82 26.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.836 -0.62 . . . . 73.120000000000005 109.848 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 60' ' ' LEU . 35.3 pt -120.59 161.87 19.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.545 0.212 . . . . 71.120000000000005 110.669 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -126.6 114.88 18.66 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.924 0.392 . . . . 54.100000000000001 110.314 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.51 HG23 HG12 ' A' ' 39' ' ' ILE . 18.7 t -126.04 140.93 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 72.239999999999995 109.341 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HG2' HG12 ' A' ' 55' ' ' VAL . 31.2 mmt180 66.77 -73.81 0.07 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.912 0.757 . . . . 63.219999999999999 110.006 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.96 23.0 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.112 -1.195 . . . . 40.009999999999998 110.112 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -127.34 142.91 51.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 73.0 109.598 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -89.23 110.83 21.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 75.439999999999998 110.095 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 31' ' ' MET . 87.2 mt -99.47 129.77 45.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.11 -0.495 . . . . 73.5 110.792 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -93.26 106.47 18.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 74.040000000000006 109.803 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.553 HD13 ' HE2' ' A' ' 31' ' ' MET . 30.7 tp -108.77 149.84 28.47 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.518 -0.549 . . . . 73.319999999999993 109.518 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.74 167.89 9.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.481 -0.488 . . . . 75.010000000000005 110.958 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -58.25 -29.57 65.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.415 -0.812 . . . . 72.230000000000004 111.755 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -53.59 -52.81 58.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 42.140000000000001 111.199 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.551 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -76.33 -38.79 55.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 61.119999999999997 111.204 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.62 66.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.517 -0.311 . . . . 74.519999999999996 111.772 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.695 ' HE2' ' HE ' ' A' ' 5' ' ' ARG . 8.5 mm-40 -82.97 -10.84 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.305 -0.407 . . . . 75.340000000000003 111.539 177.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.938 ' HA ' ' HE1' ' A' ' 69' ' ' MET . 1.1 tpt -118.35 -2.0 11.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.947 0.403 . . . . 65.030000000000001 111.213 -174.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 66' ' ' ALA . 73.4 mt -92.84 128.43 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.385 -0.37 . . . . 73.109999999999999 110.41 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' HE2' ' H ' ' A' ' 2' ' ' PHE . 4.2 tp10 -93.48 116.45 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.72 -0.673 . . . . 34.130000000000003 109.681 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.623 HG11 HD13 ' A' ' 4' ' ' LEU . 30.8 m -131.13 165.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.949 0.404 . . . . 71.329999999999998 112.041 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -133.55 150.73 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.601 -0.727 . . . . 74.25 109.463 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.506 HD13 HG12 ' A' ' 13' ' ' VAL . 4.5 mm? . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 71.150000000000006 111.317 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 108.822 -0.807 . . . . 72.25 108.822 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 99.2 p -84.63 166.21 17.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.394 -0.367 . . . . 63.119999999999997 110.315 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.505 HD22 HG21 ' A' ' 39' ' ' ILE . 17.2 tp -69.44 -16.27 63.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.414 0.626 . . . . 63.130000000000003 109.513 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -39.33 68.79 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.265 -0.879 . . . . 71.230000000000004 108.988 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.64 -22.1 64.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.821 -0.627 . . . . 74.430000000000007 111.146 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 155.73 36.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 70.230000000000004 110.86 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -111.32 160.36 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.2 -0.454 . . . . 61.549999999999997 110.054 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 p -73.91 140.8 45.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.934 0.397 . . . . 62.450000000000003 110.496 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.38 1.96 71.18 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.396 -0.682 . . . . 41.420000000000002 111.396 -177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -104.56 152.02 22.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.369 . . . . 65.430000000000007 110.53 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.3 m -111.44 129.77 55.92 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.984 -0.746 . . . . 44.43 108.984 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.01 172.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.596 0.236 . . . . 63.020000000000003 110.565 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -130.3 131.69 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.346 -0.388 . . . . 55.439999999999998 110.702 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.6 115.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 75.299999999999997 110.087 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -107.84 -38.86 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.275 -0.42 . . . . 72.209999999999994 111.602 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 56.6 mtpt -133.31 156.68 47.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.068 0.461 . . . . 72.540000000000006 110.308 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.18 116.26 19.65 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.987 -0.551 . . . . 70.409999999999997 109.835 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -86.83 154.48 20.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.176 -0.465 . . . . 55.229999999999997 109.747 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 175.81 14.2 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.784 -0.722 . . . . 73.129999999999995 111.741 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.5 p -79.12 -63.57 1.39 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.699 0.285 . . . . 74.209999999999994 111.503 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.81 -57.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.597 -0.811 . . . . 24.010000000000002 112.683 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.647 0.26 . . . . 52.049999999999997 111.11 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.44 -41.22 76.09 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.038 -0.528 . . . . 72.239999999999995 110.443 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -66.26 -49.26 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.176 -0.466 . . . . 62.32 111.168 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.6 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -63.08 -32.43 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.839 -0.43 . . . . 65.340000000000003 109.839 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.36 -42.15 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 75.439999999999998 110.464 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.735 HG22 ' HB ' ' A' ' 33' ' ' ILE . 60.6 mt -70.77 -41.55 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 74.010000000000005 110.548 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.497 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 87.6 mtp -63.42 -31.54 72.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 63.340000000000003 111.11 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.35 -32.6 68.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.818 -0.628 . . . . 75.319999999999993 111.324 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.68 ' HE2' HD22 ' A' ' 62' ' ' LEU . 62.8 mtm -84.52 -0.06 51.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.756 -0.656 . . . . 72.299999999999997 111.067 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.3 -3.31 50.85 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.945 -0.645 . . . . 42.310000000000002 112.563 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.735 ' HB ' HG22 ' A' ' 28' ' ' ILE . 40.3 mt -88.3 106.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 53.240000000000002 110.477 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -147.45 178.83 8.12 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 74.129999999999995 109.622 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.2 130.16 44.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 73.549999999999997 110.451 -177.614 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.63 -4.98 69.7 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.972 -0.632 . . . . 70.129999999999995 112.498 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.09 140.13 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 74.230000000000004 110.335 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -92.55 126.4 37.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.474 -0.784 . . . . 74.439999999999998 109.558 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.505 HG21 HD22 ' A' ' 4' ' ' LEU . 35.8 mm -112.02 117.42 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.99 -0.55 . . . . 44.439999999999998 110.267 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -95.23 105.82 17.79 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.937 -0.574 . . . . 65.5 109.896 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 41' ' ' ILE . 4.1 mp -75.84 107.77 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.836 -0.801 . . . . 74.019999999999996 108.836 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.767 HH21 ' HE2' ' A' ' 59' ' ' GLU . 3.2 tmm_? -86.38 -40.87 14.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.37 -0.377 . . . . 73.439999999999998 110.642 -172.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 4.6 tmtt? -156.84 137.83 13.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.772 0.32 . . . . 73.329999999999998 110.64 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 46.3 t -114.11 130.28 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.047 -0.723 . . . . 73.409999999999997 109.047 173.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.3 143.26 98.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.735 -0.386 . . . . 71.329999999999998 110.341 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.26 -29.63 88.34 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.974 2.449 . . . . 74.239999999999995 112.456 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.8 tp -85.86 -4.81 59.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.848 -0.615 . . . . 70.439999999999998 110.661 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.73 -24.68 31.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.989 -0.624 . . . . 65.140000000000001 112.509 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.834 ' HD2' HH21 ' A' ' 63' ' ' ARG . 8.5 t70 -134.59 133.71 21.64 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.959 -0.385 . . . . 75.140000000000001 109.959 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -94.4 -172.79 4.16 Favored 'Cis proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.699 -1.376 . . . . 72.409999999999997 112.784 -2.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -116.08 128.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.001 -0.545 . . . . 63.310000000000002 110.007 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -94.45 110.2 22.01 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.172 0.511 . . . . 75.5 110.703 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.1 pt -120.97 144.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.732 -0.667 . . . . 73.219999999999999 110.215 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -104.36 113.04 26.33 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.959 -0.386 . . . . 73.329999999999998 109.959 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.631 HG12 ' HG3' ' A' ' 56' ' ' ARG . 60.6 t -124.09 119.16 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 73.150000000000006 110.368 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.631 ' HG3' HG12 ' A' ' 55' ' ' VAL . 71.1 mtt180 62.0 27.33 16.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.476 0.485 . . . . 53.350000000000001 111.065 176.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.38 -16.72 59.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.08 -0.581 . . . . 61.049999999999997 112.32 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 129.98 37.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.665 0.269 . . . . 75.439999999999998 110.297 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.767 ' HE2' HH21 ' A' ' 42' ' ' ARG . 33.7 tt0 -96.31 117.31 30.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.332 0.587 . . . . 62.310000000000002 109.708 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 mt -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.045 -0.98 . . . . 75.019999999999996 111.108 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m -112.72 108.69 17.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.514 -0.55 . . . . 54.439999999999998 109.514 173.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.68 HD22 ' HE2' ' A' ' 31' ' ' MET . 12.4 mt -105.36 153.23 21.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 72.329999999999998 111.564 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.834 HH21 ' HD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -65.97 146.95 54.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.198 -0.91 . . . . 73.409999999999997 110.345 177.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.562 ' HZ3' ' HE2' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -54.56 -42.12 70.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.619 . . . . 72.430000000000007 110.181 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.595 ' HA ' ' OE2' ' A' ' 68' ' ' GLU . 35.9 m -61.56 -32.9 73.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 64.030000000000001 111.856 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.48 -35.57 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 71.040000000000006 110.738 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -22.07 63.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.209999999999994 111.027 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.595 ' OE2' ' HA ' ' A' ' 65' ' ' SER . 44.0 mt-10 -67.46 -31.52 71.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.18 0.514 . . . . 73.5 110.903 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.8 mmt -82.6 -20.39 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 73.420000000000002 111.246 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.555 HG22 HG13 ' A' ' 72' ' ' VAL . 53.5 mt -82.09 109.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.807 0.337 . . . . 73.430000000000007 110.608 -178.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.649 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 8.0 tp10 -89.13 112.94 24.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.347 -0.612 . . . . 71.420000000000002 109.347 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.555 HG13 HG22 ' A' ' 70' ' ' ILE . 25.9 m -122.42 163.0 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.215 0.531 . . . . 73.430000000000007 111.465 -175.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.41 144.84 38.58 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.901 -0.778 . . . . 74.340000000000003 108.901 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 108.009 -1.108 . . . . 72.109999999999999 108.009 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 72' ' ' VAL . 35.8 t80 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 108.31 -0.996 . . . . 74.230000000000004 108.31 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' A' ' 68' ' ' GLU . 43.9 t -77.88 150.67 34.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.9 -0.591 . . . . 74.109999999999999 111.169 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.671 HD13 HG11 ' A' ' 72' ' ' VAL . 41.4 tp -66.87 -26.89 67.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.276 0.56 . . . . 72.140000000000001 109.719 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.601 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 2.5 tmm_? -83.26 -12.26 56.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.624 -0.716 . . . . 61.509999999999998 109.735 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.481 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 24.2 t70 -92.17 -20.17 21.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.772 . . . . 62.420000000000002 110.128 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.14 148.83 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.83 -0.623 . . . . 63.509999999999998 110.64 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -94.25 142.19 27.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.48 -0.327 . . . . 73.120000000000005 110.473 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.63 127.41 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 65.450000000000003 110.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.96 -10.98 29.53 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.953 -0.641 . . . . 41.340000000000003 111.74 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -106.3 157.45 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 63.119999999999997 110.895 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.8 m -109.88 129.16 55.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.908 -0.587 . . . . 64.519999999999996 110.323 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.58 HG12 HD23 ' A' ' 74' ' ' LEU . 34.7 m -120.66 179.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 73.120000000000005 110.173 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -131.46 136.12 47.68 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.132 -0.322 . . . . 62.340000000000003 110.132 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.642 ' HA ' HG12 ' A' ' 72' ' ' VAL . 93.8 t -73.77 117.51 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.408 -0.589 . . . . 63.43 109.408 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.46 HG21 ' HG2' ' A' ' 71' ' ' GLU . 14.0 m -111.04 -36.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.628 -0.429 . . . . 63.399999999999999 111.882 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.663 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 15.4 tppt? -140.73 134.89 30.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.018 0.437 . . . . 73.420000000000002 111.018 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.562 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 82.1 mt -105.84 107.37 18.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.26 -0.427 . . . . 64.420000000000002 110.262 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' HB2' ' O ' ' A' ' 69' ' ' MET . 35.1 m-70 -88.28 158.96 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.02 -0.363 . . . . 73.120000000000005 110.02 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.79 -167.25 24.06 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.505 -0.855 . . . . 70.120000000000005 112.707 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 p -85.72 1.87 47.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.102 0.477 . . . . 75.329999999999998 111.835 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.791 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 96.59 -47.32 1.73 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.658 -0.782 . . . . 74.310000000000002 111.84 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.29 93.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.094 0.473 . . . . 60.119999999999997 110.519 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.69 -41.97 98.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 74.209999999999994 110.122 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.791 ' HD3' ' HA2' ' A' ' 22' ' ' GLY . 52.7 mtpt -62.7 -46.73 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.633 -0.712 . . . . 72.340000000000003 110.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -58.01 -39.67 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.758 -0.656 . . . . 72.540000000000006 110.772 178.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -67.57 -43.09 81.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.36 -0.382 . . . . 72.439999999999998 110.768 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.563 HG22 ' HB ' ' A' ' 33' ' ' ILE . 73.7 mt -69.24 -38.78 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.678 0.275 . . . . 62.119999999999997 111.142 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.15 -29.26 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 75.239999999999995 110.551 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 27.5 t70 -61.74 -30.32 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.667 -0.697 . . . . 71.430000000000007 111.368 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.618 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.8 mpp? -81.17 -6.45 58.86 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.748 0.309 . . . . 70.310000000000002 111.452 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.77 2.13 46.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.539 -0.839 . . . . 74.319999999999993 112.195 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.563 ' HB ' HG22 ' A' ' 28' ' ' ILE . 46.4 mt -87.43 99.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.756 -0.461 . . . . 70.340000000000003 109.756 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -120.67 156.03 32.59 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.084 -0.507 . . . . 74.530000000000001 111.047 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 ptt85 -58.41 114.29 2.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 72.0 110.291 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.45 -31.71 4.12 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.383 -0.826 . . . . 75.409999999999997 112.396 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.62 149.29 42.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.805 0.336 . . . . 25.539999999999999 110.562 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -90.98 139.88 30.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.13 0.491 . . . . 73.239999999999995 110.293 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.431 HG21 HD11 ' A' ' 4' ' ' LEU . 31.1 mm -114.82 114.41 46.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.506 -0.77 . . . . 71.450000000000003 109.894 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -83.2 113.55 20.74 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.398 -0.593 . . . . 74.120000000000005 109.398 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -75.24 99.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.208 -0.664 . . . . 72.510000000000005 109.208 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.627 HH12 ' HE2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -77.84 -46.44 21.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.627 -0.715 . . . . 62.420000000000002 110.917 -171.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -160.8 122.81 3.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.942 0.401 . . . . 74.310000000000002 111.673 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.9 t -104.74 112.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.614 -0.884 . . . . 63.420000000000002 108.614 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.27 143.7 84.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.477 -0.329 . . . . 71.129999999999995 111.07 -176.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.12 -10.26 27.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.805 2.337 . . . . 72.109999999999999 112.117 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.99 -18.62 36.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 54.539999999999999 109.756 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -11.72 57.11 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.632 -0.713 . . . . 51.219999999999999 112.11 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.888 ' HD2' HH11 ' A' ' 63' ' ' ARG . 30.8 t70 -155.64 137.62 9.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.234 -0.284 . . . . 72.030000000000001 110.234 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -91.73 -174.76 6.96 Favored 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.364 -1.515 . . . . 73.439999999999998 112.752 0.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.53 HG22 HG23 ' A' ' 53' ' ' ILE . 3.6 mp -110.86 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.106 -0.701 . . . . 74.129999999999995 109.106 175.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -90.22 113.88 25.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.316 -0.624 . . . . 65.319999999999993 109.316 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.53 HG23 HG22 ' A' ' 51' ' ' ILE . 26.9 pt -120.81 158.35 23.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.459 -0.337 . . . . 72.099999999999994 110.701 -177.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.78 110.68 20.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.905 -0.405 . . . . 64.109999999999999 109.905 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.857 HG12 ' HG2' ' A' ' 56' ' ' ARG . 49.0 t -122.98 131.43 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.856 -0.611 . . . . 62.32 109.887 -178.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.857 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.9 mmt180 63.29 16.18 9.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.343 -0.39 . . . . 74.349999999999994 110.679 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.82 -16.19 61.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.015 -0.612 . . . . 74.120000000000005 112.17 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -101.71 135.35 43.39 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.099 -0.334 . . . . 71.420000000000002 110.099 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.627 ' HE2' HH12 ' A' ' 42' ' ' ARG . 9.5 pt-20 -84.08 124.28 30.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.362 0.601 . . . . 73.420000000000002 110.765 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.618 HD13 ' HB3' ' A' ' 31' ' ' MET . 67.4 mt -114.67 138.82 50.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.404 -0.816 . . . . 63.020000000000003 110.197 -176.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.1 m -94.55 106.23 18.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 109.962 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 tp -107.52 140.92 39.76 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.642 -0.503 . . . . 63.539999999999999 109.642 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.888 HH11 ' HD2' ' A' ' 49' ' ' ASP . 34.6 mmt180 -79.47 153.74 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 72.239999999999995 111.799 -177.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 30.8 ttpt -45.5 -53.18 9.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.587 -1.188 . . . . 72.120000000000005 112.369 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 p -63.76 -41.31 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.844 0.312 . . . . 71.209999999999994 111.844 -176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -68.45 -43.58 76.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 70.010000000000005 110.822 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.25 84.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.267 0.556 . . . . 70.219999999999999 110.901 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.497 ' HA ' ' HG ' ' A' ' 3' ' ' SER . 28.8 tt0 -68.93 -26.09 64.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.544 -0.753 . . . . 74.200000000000003 111.182 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.579 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 10.0 tpt -83.25 -8.03 59.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.095 -0.502 . . . . 72.319999999999993 110.786 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.521 HD12 ' CD1' ' A' ' 28' ' ' ILE . 36.8 mm -91.55 129.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.076 0.465 . . . . 74.239999999999995 111.399 -176.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.663 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.4 tt0 -93.68 116.56 29.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.294 -0.866 . . . . 73.530000000000001 109.664 177.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.671 HG11 HD13 ' A' ' 4' ' ' LEU . 28.0 m -124.57 171.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.254 -0.43 . . . . 72.129999999999995 110.662 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -123.52 131.13 53.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.077 -0.51 . . . . 74.450000000000003 109.707 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.58 HD23 HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 108.92 -0.77 . . . . 72.219999999999999 108.92 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 109.326 -0.62 . . . . 75.329999999999998 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 84.0 p -98.22 178.57 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.353 -0.385 . . . . 62.32 110.941 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.1 mt -70.84 -8.17 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.364 0.602 . . . . 61.340000000000003 110.211 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.718 ' HG3' ' HG2' ' A' ' 68' ' ' GLU . 24.2 mmm180 -85.33 -31.73 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.426 -0.807 . . . . 71.549999999999997 110.368 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -82.62 -28.81 30.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.893 -1.048 . . . . 71.209999999999994 109.946 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.71 155.24 40.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.488 -0.778 . . . . 73.129999999999995 111.238 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -107.26 153.77 22.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 73.400000000000006 109.739 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.642 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 9.9 p -58.79 140.83 54.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.678 0.275 . . . . 54.100000000000001 110.559 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.42 -22.66 35.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 62.130000000000003 112.593 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 53.6 mt-30 -69.89 133.06 46.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.937 0.399 . . . . 62.43 111.131 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -95.53 103.92 15.81 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.602 -0.726 . . . . 75.299999999999997 109.539 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 HD13 ' A' ' 74' ' ' LEU . 22.6 m -113.64 174.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.423 -0.584 . . . . 63.310000000000002 109.423 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.661 0.267 . . . . 53.240000000000002 110.465 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.35 124.43 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.72 -0.673 . . . . 72.319999999999993 110.342 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -117.26 -40.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.22 0.452 . . . . 73.239999999999995 112.22 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 50.1 tttm -139.04 149.69 44.92 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.477 -0.489 . . . . 62.5 110.548 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.87 112.87 19.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.957 -0.565 . . . . 62.25 110.006 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -72.59 -9.15 58.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 72.150000000000006 111.763 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.72 149.93 48.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.766 -0.73 . . . . 72.319999999999993 111.612 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 p -57.44 -79.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.38 . . . . 73.519999999999996 111.88 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.91 -57.64 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.205 -0.758 . . . . 64.340000000000003 111.205 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.3 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.932 0.396 . . . . 71.209999999999994 110.441 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.48 -46.81 83.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.687 -0.688 . . . . 73.319999999999993 110.711 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -59.92 -53.61 55.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.094 -0.503 . . . . 71.409999999999997 110.764 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -58.48 -40.66 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.525 -0.761 . . . . 64.549999999999997 111.495 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 27' ' ' ARG . 17.2 tpt180 -60.52 -47.49 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.632 0.253 . . . . 72.219999999999999 111.023 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.8 HD11 HD12 ' A' ' 70' ' ' ILE . 68.5 mt -61.28 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 72.319999999999993 111.005 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 68.2 mtm -67.06 -30.81 70.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 73.120000000000005 110.997 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.91 -35.81 81.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.735 -0.666 . . . . 50.439999999999998 110.704 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.536 ' HE2' HD22 ' A' ' 62' ' ' LEU . 67.0 mtm -76.92 -17.47 58.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.848 -0.615 . . . . 73.439999999999998 111.001 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.04 -8.76 6.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.6 -0.809 . . . . 53.310000000000002 113.356 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.68 HG12 HG22 ' A' ' 55' ' ' VAL . 51.1 mt -97.89 103.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.004 0.402 . . . . 63.43 111.173 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.5 t -128.66 173.05 10.64 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.937 -0.394 . . . . 51.119999999999997 109.937 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.92 142.29 54.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.28 -0.418 . . . . 74.239999999999995 110.379 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.95 -21.45 46.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.933 -0.651 . . . . 74.129999999999995 111.923 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.2 m -78.72 148.89 32.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 73.319999999999993 110.865 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.27 135.69 33.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.569 -0.741 . . . . 73.420000000000002 110.33 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 13' ' ' VAL . 19.8 mm -128.02 116.45 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 73.420000000000002 109.656 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 54' ' ' ASN . 4.4 p90 -112.72 130.66 55.98 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.256 -0.978 . . . . 72.420000000000002 109.237 171.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.86 ' HA ' HG22 ' A' ' 53' ' ' ILE . 4.4 mp -72.63 111.86 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.675 -0.693 . . . . 75.409999999999997 109.893 -175.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -56.84 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.64 -0.709 . . . . 74.519999999999996 111.128 -171.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 57.0 tttm -143.44 122.16 12.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.349 . . . . 74.120000000000005 110.992 -175.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -108.4 125.95 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.442 -0.345 . . . . 61.130000000000003 110.099 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.0 145.73 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.058 -0.349 . . . . 61.43 110.058 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -42.91 -46.49 8.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.915 3.077 . . . . 75.0 113.527 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.64 -35.07 72.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.668 . . . . 74.409999999999997 110.526 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.58 -3.12 20.0 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.529 -0.628 . . . . 61.5 111.529 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -138.92 124.22 11.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.811 -0.44 . . . . 71.049999999999997 109.811 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -89.36 -176.36 10.02 Favored 'Cis proline' 0 C--O 1.236 0.389 0 C-N-CA 123.411 -1.496 . . . . 73.310000000000002 112.754 -0.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.568 HD12 HH11 ' A' ' 5' ' ' ARG . 73.2 mt -119.02 121.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.943 -0.571 . . . . 62.200000000000003 109.799 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 35.2 tt0 -95.43 116.41 28.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.216 0.532 . . . . 74.209999999999994 109.937 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.86 HG22 ' HA ' ' A' ' 41' ' ' ILE . 1.4 pp -123.0 148.52 26.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.786 -0.643 . . . . 74.510000000000005 110.653 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.458 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 24.3 t-20 -97.83 112.92 24.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.862 0.363 . . . . 73.349999999999994 110.257 -178.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.729 HG12 ' HG2' ' A' ' 56' ' ' ARG . 23.2 t -119.51 124.51 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 64.400000000000006 109.962 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.729 ' HG2' HG12 ' A' ' 55' ' ' VAL . 20.0 mmm180 67.15 12.05 8.73 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 53.439999999999998 110.997 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.63 -15.17 58.76 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.138 -0.553 . . . . 64.549999999999997 111.834 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -100.94 132.53 46.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.132 -0.322 . . . . 73.349999999999994 110.132 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -82.42 124.77 30.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.09 0.472 . . . . 70.310000000000002 111.129 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.25 153.58 32.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 62.109999999999999 110.153 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.1 t -118.95 107.81 14.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.254 -0.43 . . . . 74.209999999999994 110.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.536 HD22 ' HE2' ' A' ' 31' ' ' MET . 16.6 mt -106.79 142.97 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.446 -0.343 . . . . 75.099999999999994 110.336 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -73.75 158.82 33.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.481 -0.562 . . . . 50.43 109.481 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 14.5 ptmm? -53.44 -37.73 62.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.425 . . . . 71.450000000000003 111.597 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -56.21 -40.92 74.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.392 . . . . 74.409999999999997 111.346 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.504 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.73 -34.14 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 61.109999999999999 110.953 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.88 -29.88 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.898 0.38 . . . . 63.520000000000003 110.988 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.718 ' HG2' ' HG3' ' A' ' 5' ' ' ARG . 48.7 mt-10 -70.29 -13.27 62.09 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.046 -0.525 . . . . 61.539999999999999 111.924 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptp -107.57 6.33 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.486 -0.486 . . . . 75.299999999999997 111.565 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.8 HD12 HD11 ' A' ' 28' ' ' ILE . 49.0 mm -97.78 118.15 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.997 -0.281 . . . . 61.420000000000002 110.568 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 7.8 tp10 -92.88 120.1 32.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.733 -0.84 . . . . 75.140000000000001 108.733 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.544 HG13 HG22 ' A' ' 70' ' ' ILE . 21.3 m -126.58 162.51 30.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.273 0.559 . . . . 70.540000000000006 111.725 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -126.02 151.39 47.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 54.130000000000003 109.921 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.131 -0.692 . . . . 75.530000000000001 109.131 171.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.421 ' CD2' HG21 ' A' ' 72' ' ' VAL . 69.0 t80 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.961 -0.755 . . . . 71.209999999999994 108.961 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.85 ' HG ' ' HA ' ' A' ' 68' ' ' GLU . 28.0 t -88.35 149.82 23.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 65.310000000000002 112.046 -173.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.539 HD13 HG11 ' A' ' 72' ' ' VAL . 36.9 tp -63.42 -20.78 65.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.133 -0.94 . . . . 74.519999999999996 110.496 176.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.059 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 23.8 ptt180 -78.22 -15.86 58.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 63.119999999999997 111.159 -175.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -87.53 -16.38 34.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.944 0.402 . . . . 74.430000000000007 110.868 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.558 ' CB ' HG13 ' A' ' 41' ' ' ILE . . . -63.41 154.27 32.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.019 -0.537 . . . . 71.319999999999993 110.743 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -116.47 169.42 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.404 -0.362 . . . . 75.239999999999995 111.179 -175.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 p -65.82 110.44 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.224 0.535 . . . . 74.109999999999999 111.08 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.11 -11.8 22.23 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.872 -0.603 . . . . 72.400000000000006 111.83 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.59 145.85 27.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.247 0.546 . . . . 62.530000000000001 111.32 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 m -109.25 134.07 52.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.32 -0.855 . . . . 65.519999999999996 109.127 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 74' ' ' LEU . 14.0 m -134.46 149.82 30.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.421 -0.215 . . . . 64.510000000000005 110.421 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -112.18 125.85 54.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.68 -0.237 . . . . 74.510000000000005 110.399 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.717 ' HA ' HG12 ' A' ' 72' ' ' VAL . 58.1 t -71.35 129.39 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 110.802 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.55 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 3.4 m -116.8 -46.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.288 -0.414 . . . . 72.549999999999997 111.697 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 14.4 mptt -130.18 156.94 43.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.893 0.377 . . . . 61.409999999999997 110.627 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.02 118.31 20.42 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.655 -0.498 . . . . 73.439999999999998 109.655 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -90.51 176.12 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 74.450000000000003 109.521 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.92 -177.04 16.37 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.302 -0.951 . . . . 74.439999999999998 112.746 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 p -75.26 -77.54 0.12 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.291 . . . . 74.319999999999993 111.778 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.66 -58.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.49 -0.862 . . . . 50.340000000000003 112.812 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.14 -33.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 71.140000000000001 110.693 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 28' ' ' ILE . 61.4 tp -58.33 -43.72 88.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.856 -0.611 . . . . 73.510000000000005 110.312 175.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.54 -43.5 98.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 71.200000000000003 110.411 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -57.48 -46.69 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 75.010000000000005 110.682 175.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -59.21 -47.05 86.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.717 -0.674 . . . . 75.140000000000001 110.943 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.544 HG22 ' HB ' ' A' ' 33' ' ' ILE . 74.0 mt -63.38 -42.68 97.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.206 0.527 . . . . 75.140000000000001 110.743 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 62.2 mtt -64.66 -50.1 68.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.715 -0.675 . . . . 72.349999999999994 111.583 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.39 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.182 0.515 . . . . 75.219999999999999 110.368 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.53 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 1.8 ttp -63.25 -25.73 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.161 -0.927 . . . . 74.239999999999995 110.682 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.46 -18.63 6.04 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.858 -0.687 . . . . 65.430000000000007 112.33 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.544 ' HB ' HG22 ' A' ' 28' ' ' ILE . 4.1 mp -81.64 103.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.131 0.491 . . . . 73.409999999999997 109.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.07 171.06 14.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.056 -0.52 . . . . 63.210000000000001 110.717 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -72.21 126.83 30.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.866 0.365 . . . . 71.409999999999997 110.751 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.63 -7.13 55.52 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.694 . . . . 34.329999999999998 112.695 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.66 144.6 27.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.728 0.299 . . . . 73.239999999999995 111.122 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -85.85 120.69 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 72.120000000000005 109.959 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.518 ' HB ' HG21 ' A' ' 13' ' ' VAL . 27.9 mm -104.19 114.77 44.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.088 -0.505 . . . . 63.310000000000002 109.998 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 48.3 t80 -93.51 112.47 24.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.009 -0.541 . . . . 73.530000000000001 109.742 176.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.558 HG13 ' CB ' ' A' ' 7' ' ' ALA . 19.4 mm -85.07 110.15 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.327 -0.62 . . . . 73.430000000000007 109.327 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.457 ' HD2' ' HG2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -102.35 -23.22 13.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.597 -0.441 . . . . 74.430000000000007 111.842 -174.725 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 63.8 tttm -150.95 127.26 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.68 0.276 . . . . 73.299999999999997 111.113 -176.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.3 t -124.74 122.0 62.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.436 -0.579 . . . . 55.520000000000003 109.436 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -70.73 145.26 92.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.569 -0.287 . . . . 71.340000000000003 110.78 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 34.0 Cg_exo -58.71 -27.86 84.7 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.905 2.403 . . . . 74.219999999999999 112.809 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.548 HD12 ' H ' ' A' ' 49' ' ' ASP . 3.8 pp -100.18 6.69 44.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.037 0.446 . . . . 71.530000000000001 110.792 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.22 -35.41 4.48 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.92 -0.582 . . . . 74.430000000000007 113.303 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.548 ' H ' HD12 ' A' ' 47' ' ' LEU . 23.1 t70 -118.27 130.37 24.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.996 0.398 . . . . 61.409999999999997 111.265 -173.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 98.4 Cg_endo -96.36 172.74 12.62 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.583 -1.424 . . . . 75.310000000000002 112.953 -2.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.5 mt -108.17 132.75 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.399 -0.593 . . . . 72.540000000000006 109.399 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 3.9 tp-100 -100.06 115.94 30.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.307 -0.406 . . . . 75.120000000000005 109.913 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.538 HG22 HD11 ' A' ' 41' ' ' ILE . 33.0 pt -119.97 139.37 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.88 0.372 . . . . 74.400000000000006 110.871 -177.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 11.6 m120 -95.48 110.93 22.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 74.109999999999999 110.551 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.631 HG12 ' HG2' ' A' ' 56' ' ' ARG . 42.4 t -135.5 130.54 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.602 -0.727 . . . . 31.050000000000001 109.697 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.631 ' HG2' HG12 ' A' ' 55' ' ' VAL . 34.2 mmt180 61.47 23.35 13.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.997 0.427 . . . . 75.219999999999999 111.269 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.11 -11.6 71.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.978 -0.629 . . . . 71.010000000000005 112.588 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -99.41 157.28 16.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.033 0.444 . . . . 51.439999999999998 111.12 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -99.37 113.32 25.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.872 -0.604 . . . . 55.009999999999998 109.416 171.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.409 HD13 ' HG2' ' A' ' 31' ' ' MET . 65.4 mt -102.59 128.26 49.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.639 -0.709 . . . . 74.340000000000003 110.631 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 p -90.62 109.72 20.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.123 -0.489 . . . . 64.439999999999998 109.863 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.6 tp -106.7 139.73 40.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.176 -0.466 . . . . 62.219999999999999 110.631 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.462 ' HG3' ' H ' ' A' ' 65' ' ' SER . 5.2 tpp180 -64.05 137.29 57.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 72.329999999999998 109.702 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.686 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 21.9 ptmt -55.6 -36.08 66.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.536 0.208 . . . . 74.310000000000002 110.75 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.462 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 40.2 t -61.12 -33.5 73.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.065 -0.516 . . . . 71.219999999999999 110.73 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.54 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.49 -40.13 57.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.308 -0.405 . . . . 72.230000000000004 110.019 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.96 85.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 52.420000000000002 111.114 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 1.059 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 6.0 pt-20 -76.8 0.94 18.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 54.149999999999999 111.458 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.4 ttm -111.84 -1.13 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.458 0.647 . . . . 73.549999999999997 109.677 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 66' ' ' ALA . 66.7 mt -103.69 130.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.828 -0.624 . . . . 63.130000000000003 110.17 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.6 tt0 -97.85 116.82 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.64 . . . . 74.230000000000004 109.926 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.717 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.6 m -130.83 -178.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.198 0.523 . . . . 75.019999999999996 111.075 -177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.15 144.66 40.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.538 -0.755 . . . . 74.219999999999999 109.047 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.543 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 109.246 -0.65 . . . . 64.239999999999995 109.246 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.354 0.597 . . . . 72.340000000000003 109.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.514 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 14.5 m -86.72 158.54 19.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.382 -0.827 . . . . 74.099999999999994 110.158 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.537 HD13 HG11 ' A' ' 72' ' ' VAL . 38.1 tp -58.98 -25.4 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.104 0.478 . . . . 73.530000000000001 110.278 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.539 ' HD3' ' HG2' ' A' ' 68' ' ' GLU . 46.4 ttp180 -53.5 -34.43 58.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.375 -0.83 . . . . 73.140000000000001 111.696 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -7.18 58.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 73.140000000000001 111.959 -173.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.42 142.09 36.26 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.13 -0.322 . . . . 75.129999999999995 110.13 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -98.85 154.31 18.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.899 0.38 . . . . 74.200000000000003 110.51 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -65.97 125.5 25.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 70.140000000000001 110.429 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 8.85 27.92 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.64 -0.79 . . . . 71.530000000000001 112.416 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -114.69 163.97 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 51.119999999999997 110.392 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -122.7 115.37 21.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 41.439999999999998 109.986 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.605 HG23 HD12 ' A' ' 41' ' ' ILE . 34.0 m -119.04 161.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.378 -0.374 . . . . 61.219999999999999 110.405 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -119.89 143.18 48.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.915 0.388 . . . . 74.129999999999995 110.324 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG22 ' CG2' ' A' ' 33' ' ' ILE . 57.5 t -79.16 129.3 37.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.597 -0.729 . . . . 75.299999999999997 110.445 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -114.71 -41.0 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.236 0.458 . . . . 65.230000000000004 112.236 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 81.1 tttt -139.26 125.25 19.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.272 0.558 . . . . 62.329999999999998 111.006 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.73 115.65 29.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.0 -0.545 . . . . 61.25 110.031 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -93.37 153.36 18.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.361 -0.381 . . . . 71.340000000000003 110.222 -178.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.34 -167.43 12.97 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.635 -0.793 . . . . 54.420000000000002 113.206 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -86.68 173.95 9.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.557 0.217 . . . . 72.239999999999995 110.81 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.81 -41.23 99.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.077 -0.582 . . . . 63.039999999999999 112.21 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.65 90.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.91 0.386 . . . . 72.400000000000006 111.109 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HG ' ' HE2' ' A' ' 69' ' ' MET . 4.3 mm? -70.99 -43.57 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 63.420000000000002 110.861 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -60.63 -43.12 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.92 0.39 . . . . 74.140000000000001 110.319 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -60.81 -39.11 87.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.917 -0.583 . . . . 72.099999999999994 111.344 177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.65 -47.69 82.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 62.119999999999997 110.556 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.713 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 76.8 mt -61.41 -44.42 98.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 70.439999999999998 110.748 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.585 ' HG2' HG23 ' A' ' 34' ' ' THR . 66.7 mtt -67.84 -34.82 77.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.109999999999999 111.249 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.09 -40.19 92.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.02 0.438 . . . . 74.019999999999996 110.261 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.713 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 64.5 mtm -68.19 -25.15 65.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 71.409999999999997 110.897 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.02 6.66 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.735 -0.745 . . . . 50.039999999999999 112.987 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.652 ' HB ' HG22 ' A' ' 28' ' ' ILE . 55.1 mt -102.95 108.78 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 64.040000000000006 111.681 -175.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.585 HG23 ' HG2' ' A' ' 29' ' ' MET . 57.2 p -121.29 177.1 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.097 -0.705 . . . . 72.219999999999999 109.097 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 -72.82 135.03 45.14 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.518 -0.473 . . . . 75.129999999999995 110.31 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.21 67.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.651 . . . . 53.109999999999999 112.271 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -79.25 145.3 33.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 74.25 110.791 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -98.88 136.07 39.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.555 -0.748 . . . . 71.209999999999994 110.277 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.427 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 61.3 mt -120.76 122.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 71.450000000000003 110.16 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -90.96 102.32 15.08 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.021 -0.733 . . . . 64.310000000000002 109.021 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.693 ' H ' HD13 ' A' ' 41' ' ' ILE . 3.9 mp -69.46 116.39 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.394 -0.595 . . . . 72.450000000000003 109.394 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -91.68 -48.02 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.586 -0.734 . . . . 64.299999999999997 111.129 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -152.28 117.45 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 53.340000000000003 111.298 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG23 HG23 ' A' ' 51' ' ' ILE . 51.3 t -103.88 134.77 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.549 -0.537 . . . . 73.310000000000002 109.549 175.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -87.88 143.56 33.57 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.689 -0.485 . . . . 72.239999999999995 109.689 173.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.3 Cg_exo -61.29 -21.79 72.75 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.947 2.431 . . . . 73.129999999999995 112.713 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -73.82 -24.39 59.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.228 0.537 . . . . 62.43 110.313 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.35 -11.69 43.54 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.769 -0.729 . . . . 45.299999999999997 111.466 -174.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -149.69 142.89 16.22 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 110.213 -0.292 . . . . 73.140000000000001 110.213 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -89.37 155.5 33.15 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.058 -1.643 . . . . 63.5 112.325 -4.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.519 HG23 HG23 ' A' ' 44' ' ' VAL . 64.3 mt -109.62 111.1 34.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.083 -0.508 . . . . 74.349999999999994 109.993 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.57 118.51 24.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.094 -0.503 . . . . 73.25 109.884 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.5 pt -122.78 136.92 58.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.047 -0.524 . . . . 75.340000000000003 110.141 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -94.1 110.38 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.657 -0.497 . . . . 74.25 109.657 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.688 HG12 ' HG3' ' A' ' 56' ' ' ARG . 53.9 t -120.52 120.77 63.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 72.219999999999999 110.356 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.688 ' HG3' HG12 ' A' ' 55' ' ' VAL . 31.6 mtm180 60.38 21.38 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 64.540000000000006 111.813 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.87 -1.42 57.99 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.673 -0.775 . . . . 50.329999999999998 112.847 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -116.6 131.41 56.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 75.430000000000007 110.227 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.91 111.17 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.656 0.741 . . . . 75.329999999999998 111.119 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 mt -95.91 127.48 41.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.119 -0.946 . . . . 51.399999999999999 110.314 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 p -89.39 105.96 18.13 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.358 -0.608 . . . . 60.340000000000003 109.358 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -112.74 130.52 56.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.14 -0.482 . . . . 61.299999999999997 109.812 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.83 169.25 15.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.716 0.293 . . . . 74.150000000000006 110.615 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 19.1 ptpt -56.94 -35.4 69.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.925 -0.579 . . . . 54.5 111.976 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.8 m -53.81 -53.9 45.95 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.212 0.32 . . . . 72.349999999999994 111.528 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.72 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.147 -0.221 . . . . 63.039999999999999 111.361 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.45 67.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.805 0.336 . . . . 74.400000000000006 111.377 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 58.9 mt-10 -78.86 -25.44 44.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.038 0.446 . . . . 50.030000000000001 110.401 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.567 ' HE2' ' HG ' ' A' ' 24' ' ' LEU . 83.9 mtp -84.66 -11.74 55.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.853 -0.612 . . . . 71.25 111.421 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.441 HG22 HG13 ' A' ' 72' ' ' VAL . 61.4 mt -97.15 112.45 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.808 0.337 . . . . 62.43 110.77 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 10.8 tp10 -82.58 117.07 22.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.739 -0.837 . . . . 71.019999999999996 108.739 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.537 HG11 HD13 ' A' ' 4' ' ' LEU . 22.6 m -121.45 158.65 24.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.592 0.711 . . . . 61.109999999999999 111.679 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -130.44 142.26 50.5 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.08 -0.964 . . . . 73.040000000000006 109.362 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 13' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.051 0.453 . . . . 73.019999999999996 111.205 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.051 -0.722 . . . . 75.239999999999995 109.051 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 16.9 p -86.7 149.44 24.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.151 -0.477 . . . . 51.340000000000003 111.061 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.41 ' CD1' HG22 ' A' ' 13' ' ' VAL . 55.1 tp -64.31 -24.18 67.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.854 -0.612 . . . . 62.229999999999997 110.869 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.564 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 3.0 tmm_? -70.7 -19.0 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 74.109999999999999 111.072 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -88.15 -13.34 41.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.108 0.48 . . . . 52.549999999999997 110.618 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.21 49.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.981 -0.554 . . . . 54.100000000000001 110.093 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.06 157.15 16.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.291 0.567 . . . . 54.340000000000003 111.273 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.8 p -66.98 125.52 26.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 72.219999999999999 111.043 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.2 -2.63 29.77 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.811 -0.709 . . . . 52.049999999999997 111.922 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -106.12 165.55 11.15 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.159 -0.311 . . . . 70.340000000000003 110.159 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -125.42 122.23 36.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.995 0.426 . . . . 74.129999999999995 110.525 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.722 HG12 HD23 ' A' ' 74' ' ' LEU . 33.6 m -114.69 173.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 64.329999999999998 110.925 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -127.52 131.95 50.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.896 -0.593 . . . . 73.329999999999998 109.632 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.593 ' HA ' HG12 ' A' ' 72' ' ' VAL . 46.8 t -77.68 114.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.36 -0.607 . . . . 55.25 109.36 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -108.64 -39.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.912 0.387 . . . . 73.329999999999998 111.624 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.723 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 86.7 tttt -142.23 152.93 43.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.164 -0.471 . . . . 73.150000000000006 109.774 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -132.09 111.96 11.92 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 64.209999999999994 109.829 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -82.25 -85.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.757 -0.46 . . . . 65.109999999999999 109.757 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 69' ' ' MET . . . 55.94 -144.07 35.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.738 -0.665 . . . . 72.420000000000002 113.067 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 p -118.23 14.1 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.213 0.53 . . . . 63.210000000000001 110.498 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.464 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 87.96 -60.78 4.11 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.794 -0.717 . . . . 44.030000000000001 111.578 -173.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -27.6 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 73.409999999999997 110.831 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.599 HD22 ' HA ' ' A' ' 66' ' ' ALA . 54.1 tp -68.79 -33.83 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 74.239999999999995 110.384 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 9.1 mtpm? -61.1 -46.26 91.34 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.104 -0.498 . . . . 60.219999999999999 110.689 -178.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -61.37 -41.27 96.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.891 -0.595 . . . . 41.549999999999997 110.686 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -62.64 -42.01 99.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 61.310000000000002 110.9 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.66 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 74.1 mt -65.15 -45.46 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 73.209999999999994 110.534 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.527 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 70.5 mtm -63.38 -32.59 74.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 54.509999999999998 111.348 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.58 -35.53 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 70.340000000000003 111.288 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.66 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 65.3 mtm -76.67 -4.64 44.21 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.434 -0.348 . . . . 73.040000000000006 111.346 -177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.47 2.33 47.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.931 -0.652 . . . . 61.210000000000001 111.928 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 29' ' ' MET . 36.1 mm -101.19 108.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.754 0.311 . . . . 72.040000000000006 110.549 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -136.75 176.17 8.95 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.117 -0.327 . . . . 61.520000000000003 110.117 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -69.19 117.26 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.098 -0.501 . . . . 74.230000000000004 110.187 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.35 -10.52 11.62 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.122 -0.561 . . . . 43.030000000000001 112.264 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.9 m -90.46 148.13 22.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 72.239999999999995 111.126 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -97.2 143.93 27.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 73.239999999999995 110.31 176.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.423 HG12 HG22 ' A' ' 55' ' ' VAL . 43.1 mt -126.21 120.17 56.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.149 0.499 . . . . 74.109999999999999 111.025 -177.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -95.81 108.14 20.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.138 -0.69 . . . . 73.109999999999999 109.138 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.56 ' H ' HD13 ' A' ' 41' ' ' ILE . 4.2 mp -77.46 125.5 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 61.439999999999998 110.118 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.688 ' HB2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 mmm180 -87.71 -57.04 3.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.802 -0.635 . . . . 63.409999999999997 111.214 -175.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 36.8 ttmt -150.52 137.78 19.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.458 -0.337 . . . . 75.310000000000002 110.459 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.55 138.41 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.234 -0.654 . . . . 52.310000000000002 109.234 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.12 145.23 56.0 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.371 -0.233 . . . . 54.43 110.371 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.5 -20.44 56.98 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.04 2.494 . . . . 74.219999999999999 112.937 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -104.32 0.23 28.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 70.510000000000005 110.782 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.913 ' HA3' ' HD3' ' A' ' 64' ' ' LYS . . . 126.11 -90.69 0.38 Allowed Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 121.111 -0.566 . . . . 72.010000000000005 112.574 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.782 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 5.3 p-10 -107.51 165.32 13.01 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 120.514 0.197 . . . . 64.530000000000001 110.733 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.782 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.9 Cg_endo -75.64 137.27 48.88 Favored 'Cis proline' 0 C--N 1.343 0.24 0 C-N-CA 123.318 -1.534 . . . . 72.340000000000003 112.982 2.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.65 112.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 73.340000000000003 109.404 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.688 ' HB3' ' HB2' ' A' ' 42' ' ' ARG . 21.5 mm-40 -79.43 114.27 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.897 -0.592 . . . . 74.019999999999996 110.694 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.496 HG13 ' HB2' ' A' ' 60' ' ' LEU . 39.1 pt -122.68 136.29 59.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.887 -0.412 . . . . 74.099999999999994 109.887 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -108.45 109.82 21.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.032 -0.358 . . . . 70.450000000000003 110.032 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.725 HG12 ' HG2' ' A' ' 56' ' ' ARG . 58.4 t -136.5 133.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.068 -0.514 . . . . 72.430000000000007 110.184 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.725 ' HG2' HG12 ' A' ' 55' ' ' VAL . 4.2 mmp_? 63.44 18.31 10.95 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.962 -0.563 . . . . 73.450000000000003 111.083 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.32 67.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.089 -0.577 . . . . 74.140000000000001 112.303 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -87.28 136.99 32.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.839 0.352 . . . . 74.019999999999996 110.774 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -90.16 112.86 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.765 -0.828 . . . . 74.439999999999998 108.765 172.305 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.496 ' HB2' HG13 ' A' ' 53' ' ' ILE . 85.6 mt -109.69 127.77 54.81 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.763 -0.653 . . . . 74.400000000000006 111.421 -173.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -93.9 105.76 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 74.329999999999998 109.494 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.9 tp -105.43 134.7 48.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.908 0.385 . . . . 72.329999999999998 110.513 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.57 142.49 44.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 73.299999999999997 109.64 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.913 ' HD3' ' HA3' ' A' ' 48' ' ' GLY . 18.6 pttp -67.52 -24.99 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.826 -0.35 . . . . 73.049999999999997 111.009 -175.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -52.82 -36.55 58.74 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.057 0.456 . . . . 54.409999999999997 110.41 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.599 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -77.84 -50.16 12.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 60.25 111.025 174.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' A' ' 70' ' ' ILE . . . -61.59 -29.25 69.91 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.69 0.626 . . . . 42.200000000000003 112.69 -172.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.686 ' HE2' ' HZ1' ' A' ' 64' ' ' LYS . 42.4 mt-10 -76.63 -12.05 59.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.886 0.374 . . . . 75.409999999999997 111.197 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.409 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 1.1 mpt? -107.05 1.25 24.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.506 . . . . 72.310000000000002 110.789 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.628 HG22 HG13 ' A' ' 72' ' ' VAL . 73.5 mt -91.08 133.6 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 110.573 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 5.2 tp10 -99.46 109.53 22.09 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.561 -0.533 . . . . 73.329999999999998 109.561 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.628 HG13 HG22 ' A' ' 70' ' ' ILE . 30.5 m -126.78 164.51 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.033 0.444 . . . . 62.219999999999999 111.072 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -116.29 144.47 44.19 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.364 -0.606 . . . . 75.400000000000006 109.364 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.722 HD23 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 N-CA-C 109.503 -0.554 . . . . 74.239999999999995 109.503 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.166 -0.679 . . . . 72.430000000000007 109.166 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -96.4 172.74 7.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.826 0.346 . . . . 52.329999999999998 110.629 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 72' ' ' VAL . 32.4 tp -70.71 -16.18 62.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.253 0.549 . . . . 75.209999999999994 110.146 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 5' ' ' ARG . 15.2 tpt180 -83.63 -14.48 51.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.958 -0.565 . . . . 74.120000000000005 110.103 177.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -81.76 -21.6 37.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.224 -0.444 . . . . 73.439999999999998 110.085 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . -83.19 151.7 25.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.023 -0.535 . . . . 65.120000000000005 110.966 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 7' ' ' ALA . 13.5 mptt -118.02 173.7 6.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 74.329999999999998 110.978 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.712 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 1.8 p -64.03 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.8 -0.636 . . . . 72.030000000000001 111.539 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.68 -15.26 63.71 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.726 -0.67 . . . . 72.040000000000006 112.27 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -93.6 126.27 38.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.043 0.449 . . . . 64.540000000000006 110.956 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -92.99 118.08 30.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.599 -0.728 . . . . 73.230000000000004 110.39 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.45 HG12 HD13 ' A' ' 74' ' ' LEU . 35.4 m -118.91 165.56 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.236 -0.438 . . . . 62.43 110.544 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -121.32 128.71 52.57 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.886 -0.413 . . . . 70.349999999999994 109.886 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.621 ' HA ' HG12 ' A' ' 72' ' ' VAL . 61.9 t -70.45 126.27 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.42 . . . . 63.130000000000003 110.547 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -117.6 -39.22 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.152 0.427 . . . . 63.229999999999997 112.152 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.842 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 12.0 mptt -132.25 140.86 48.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 73.319999999999993 111.041 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' CD2' HD13 ' A' ' 70' ' ' ILE . 81.6 mt -113.71 103.24 11.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.038 -0.727 . . . . 75.329999999999998 109.038 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.403 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 36.4 m-70 -85.93 -85.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 64.109999999999999 110.275 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.8 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . 59.76 -159.17 22.7 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.128 -0.558 . . . . 43.32 113.405 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.626 HG23 HD21 ' A' ' 24' ' ' LEU . 15.0 t -121.82 21.72 10.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.776 0.798 . . . . 73.439999999999998 109.871 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.5 -63.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 70.530000000000001 112.361 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.69 -37.65 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.088 0.47 . . . . 63.43 111.325 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD21 HG23 ' A' ' 21' ' ' THR . 4.1 mm? -62.66 -39.85 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 54.310000000000002 111.09 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 19' ' ' HIS . 98.7 mttt -55.24 -52.96 61.71 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.327 0.392 . . . . 74.040000000000006 110.885 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -59.25 -52.42 65.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.95 -0.568 . . . . 73.010000000000005 111.333 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.645 ' O ' ' HG3' ' A' ' 31' ' ' MET . 41.9 mtp180 -59.14 -48.69 80.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 73.239999999999995 111.514 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.586 ' CD1' HD12 ' A' ' 70' ' ' ILE . 77.0 mt -63.74 -32.93 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.009 0.433 . . . . 72.200000000000003 110.65 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtm -70.19 -40.75 74.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 63.299999999999997 110.771 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.35 -30.91 70.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 73.510000000000005 111.292 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 39.9 mtt -66.69 -22.79 66.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 60.149999999999999 110.907 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.71 5.09 26.08 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.412 -0.675 . . . . 70.230000000000004 111.412 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.453 HD13 HD12 ' A' ' 39' ' ' ILE . 47.5 mm -98.18 111.5 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 65.420000000000002 110.557 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -127.25 173.91 9.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.379 -0.373 . . . . 55.200000000000003 110.315 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 35' ' ' ARG . 11.9 mtp180 -68.24 120.23 14.06 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.571 -0.529 . . . . 72.120000000000005 109.571 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.86 6.25 30.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.841 -0.695 . . . . 74.519999999999996 112.264 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.86 144.36 30.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.598 0.237 . . . . 60.350000000000001 110.726 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -89.42 142.34 27.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.299 -0.409 . . . . 64.099999999999994 110.428 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.454 HG12 HG22 ' A' ' 55' ' ' VAL . 56.5 mt -142.45 129.99 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 33.240000000000002 109.367 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.603 ' CE1' ' HB3' ' A' ' 54' ' ' ASN . 6.2 p90 -116.43 135.5 53.79 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.982 -0.748 . . . . 75.540000000000006 108.982 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.712 ' HB ' ' HA ' ' A' ' 9' ' ' CYS . 27.4 mm -70.34 118.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.667 -0.494 . . . . 74.409999999999997 109.667 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.462 ' H ' ' HA ' ' A' ' 53' ' ' ILE . 11.8 tpt180 -73.47 -57.99 3.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.933 -0.576 . . . . 73.209999999999994 109.778 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -155.35 145.73 21.95 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.974 -0.557 . . . . 71.310000000000002 109.728 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.539 HG13 HG22 ' A' ' 51' ' ' ILE . 55.4 t -110.37 126.78 67.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.424 -0.584 . . . . 75.230000000000004 109.424 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.66 144.86 63.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 62.350000000000001 110.122 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.5 -21.7 25.07 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.155 2.57 . . . . 73.239999999999995 113.433 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.727 ' H ' HD21 ' A' ' 47' ' ' LEU . 1.5 pt? -101.96 3.78 39.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.621 -0.263 . . . . 71.319999999999993 111.563 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.37 -23.6 17.99 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.983 -0.627 . . . . 61.409999999999997 112.894 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.603 ' HD2' HH21 ' A' ' 63' ' ' ARG . 15.1 t70 -127.02 124.7 24.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.24 -0.281 . . . . 73.0 110.24 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 94.9 Cg_endo -96.79 -165.41 1.08 Allowed 'Cis proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.635 -1.402 . . . . 74.430000000000007 112.55 -2.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.539 HG22 HG13 ' A' ' 44' ' ' VAL . 17.2 pt -116.67 135.04 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 64.319999999999993 110.342 175.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -97.79 128.03 44.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.858 -0.61 . . . . 75.349999999999994 109.593 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' HA ' ' H ' ' A' ' 42' ' ' ARG . 39.4 pt -124.76 156.51 33.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.764 -0.458 . . . . 60.210000000000001 109.764 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.603 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 18.1 t-20 -119.51 110.3 16.73 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.717 -0.475 . . . . 63.32 109.717 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.827 HG12 ' HG2' ' A' ' 56' ' ' ARG . 22.0 t -138.12 136.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.102 -0.499 . . . . 71.310000000000002 110.139 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.827 ' HG2' HG12 ' A' ' 55' ' ' VAL . 13.0 mmt85 67.52 11.92 8.62 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.729 0.411 . . . . 72.120000000000005 111.409 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.25 -2.62 71.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.054 -0.593 . . . . 74.450000000000003 112.137 -175.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -107.76 139.29 42.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.971 0.415 . . . . 72.430000000000007 110.925 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.81 110.12 21.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.476 0.655 . . . . 64.109999999999999 109.801 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 mt -105.42 152.2 23.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.465 -0.789 . . . . 74.340000000000003 109.58 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -127.72 114.96 17.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.617 -0.433 . . . . 62.240000000000002 110.158 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.92 141.09 38.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.954 -0.566 . . . . 63.229999999999997 109.974 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.603 HH21 ' HD2' ' A' ' 49' ' ' ASP . 26.4 mtp180 -72.25 155.56 40.07 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.632 -0.427 . . . . 71.209999999999994 109.963 176.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -56.34 -34.68 66.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.521 . . . . 73.5 111.565 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -60.7 -39.84 90.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 42.219999999999999 111.409 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.586 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -75.43 -33.95 60.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.047 -0.353 . . . . 55.219999999999999 110.047 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.45 97.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.611 . . . . 62.310000000000002 111.399 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.11 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.251 -0.431 . . . . 71.450000000000003 111.292 -178.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.8 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 64.6 mtt -91.03 -11.16 39.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 74.129999999999995 110.627 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' ' 66' ' ' ALA . 36.7 mm -98.27 129.74 48.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.107 -0.497 . . . . 62.25 110.261 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.842 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.4 tt0 -102.04 125.04 48.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 74.140000000000001 109.628 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' ' 15' ' ' VAL . 29.3 m -132.3 174.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.14 0.495 . . . . 74.319999999999993 111.331 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -139.15 143.04 38.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.38 -0.827 . . . . 65.129999999999995 109.492 177.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.45 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 110.444 -0.206 . . . . 60.210000000000001 110.444 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.2 t80 . . . . . 0 CA--C 1.516 -0.331 0 N-CA-C 109.263 -0.643 . . . . 72.510000000000005 109.263 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 m -114.06 -176.83 2.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 73.030000000000001 110.938 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.602 HD22 HG21 ' A' ' 53' ' ' ILE . 19.4 tp -61.62 -22.32 65.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.782 -0.645 . . . . 73.329999999999998 111.009 -178.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.63 ' HG2' ' HB3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -78.67 -12.66 60.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.819 -0.628 . . . . 52.439999999999998 110.871 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.56 ' HD2' ' HE ' ' A' ' 5' ' ' ARG . 4.1 m-20 -91.82 -18.77 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 54.420000000000002 111.748 -174.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.94 179.39 7.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.194 0.521 . . . . 65.230000000000004 112.11 -173.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -107.5 -176.65 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 72.109999999999999 110.149 -178.185 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.514 ' SG ' ' HB ' ' A' ' 44' ' ' VAL . 36.0 m -82.37 141.21 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 62.539999999999999 110.66 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.87 5.58 89.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.961 -0.638 . . . . 74.310000000000002 112.805 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.505 HE21 HD11 ' A' ' 74' ' ' LEU . 15.9 mm100 -87.17 146.33 26.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 73.299999999999997 111.241 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 m -103.41 106.79 17.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 74.099999999999994 109.801 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -113.01 159.7 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.329 -0.396 . . . . 72.329999999999998 110.477 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -120.04 141.92 49.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.802 0.334 . . . . 74.129999999999995 111.004 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.62 132.54 31.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.887 -0.597 . . . . 74.239999999999995 111.233 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 m -118.02 -42.84 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.033 0.383 . . . . 74.299999999999997 112.033 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 55.1 mtmt -135.9 161.7 34.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.54 0.21 . . . . 74.340000000000003 110.525 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 61.5 mt -134.97 112.57 10.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.17 0.509 . . . . 65.349999999999994 111.127 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 35.7 m-70 -88.99 175.6 7.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.454 -0.793 . . . . 73.239999999999995 109.705 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.45 176.29 14.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.401 -0.904 . . . . 71.400000000000006 112.915 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -87.42 24.59 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.022 0.439 . . . . 75.120000000000005 111.662 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.58 -55.92 4.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.668 -0.777 . . . . 73.019999999999996 111.637 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.45 90.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 43.119999999999997 110.552 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.33 -46.93 81.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 71.329999999999998 110.613 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 97.2 mttt -53.39 -49.26 67.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 72.140000000000001 110.239 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.25 -51.22 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 74.109999999999999 110.822 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' A' ' 31' ' ' MET . 10.0 ttm180 -54.78 -47.84 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 74.409999999999997 110.826 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.578 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 96.0 mt -58.26 -49.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.856 -0.611 . . . . 71.439999999999998 110.929 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.4 mtt -62.61 -43.28 99.22 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.095 0.474 . . . . 63.140000000000001 110.857 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.43 -0.805 . . . . 73.409999999999997 111.414 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.578 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 67.1 mtm -78.21 -6.15 54.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 64.25 111.116 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.52 4.86 34.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.659 -0.782 . . . . 71.129999999999995 112.552 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.72 HG23 HD12 ' A' ' 39' ' ' ILE . 54.0 mt -94.97 95.91 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.311 0.577 . . . . 62.340000000000003 110.607 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 p -113.86 172.23 7.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.643 -0.708 . . . . 72.019999999999996 110.688 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -73.16 117.35 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 71.530000000000001 110.169 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.55 -15.61 22.06 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.701 -0.762 . . . . 72.010000000000005 112.955 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.24 145.23 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.28 0.54 . . . . 72.010000000000005 110.688 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.33 113.2 25.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.811 -0.631 . . . . 65.409999999999997 110.123 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.72 HD12 HG23 ' A' ' 33' ' ' ILE . 64.6 mt -104.33 116.15 47.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.178 0.513 . . . . 53.210000000000001 110.825 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -83.04 113.64 20.73 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.382 -0.826 . . . . 74.340000000000003 109.639 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -78.31 119.86 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.946 -0.39 . . . . 73.400000000000006 109.946 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.71 ' HG3' ' HG2' ' A' ' 43' ' ' LYS . 18.8 tpp180 -78.55 -58.84 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.897 0.379 . . . . 74.230000000000004 110.681 -176.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.71 ' HG2' ' HG3' ' A' ' 42' ' ' ARG . 75.0 mmtt -144.02 134.13 24.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 63.109999999999999 110.94 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.514 ' HB ' ' SG ' ' A' ' 9' ' ' CYS . 57.6 t -120.81 124.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.041 -0.726 . . . . 74.230000000000004 109.041 172.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 145.23 89.5 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.641 -0.254 . . . . 52.329999999999998 110.873 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.93 -23.51 75.96 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.791 2.327 . . . . 74.510000000000005 111.889 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.735 ' H ' HD21 ' A' ' 47' ' ' LEU . 1.2 pt? -92.89 9.88 33.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.775 -0.648 . . . . 71.519999999999996 110.57 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -79.66 0.32 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.865 -0.607 . . . . 71.420000000000002 111.619 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.656 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.4 p-10 -106.49 160.14 27.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 110.111 -0.329 . . . . 74.030000000000001 110.111 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.656 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 90.2 Cg_endo -81.15 153.3 81.32 Favored 'Cis proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.166 -1.597 . . . . 52.039999999999999 113.152 0.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.453 HG23 HG23 ' A' ' 44' ' ' VAL . 59.1 mt -108.64 115.89 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.83 -0.623 . . . . 73.319999999999993 109.743 176.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -98.6 121.48 40.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.668 -0.696 . . . . 74.510000000000005 110.291 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.602 HG21 HD22 ' A' ' 4' ' ' LEU . 30.6 pt -121.22 150.75 24.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.336 -0.393 . . . . 75.239999999999995 110.258 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -109.8 110.21 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.844 0.354 . . . . 72.510000000000005 110.286 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.611 HG12 ' HG2' ' A' ' 56' ' ' ARG . 59.7 t -111.92 128.16 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 109.784 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.611 ' HG2' HG12 ' A' ' 55' ' ' VAL . 21.1 mmt180 66.11 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.793 0.683 . . . . 61.329999999999998 109.965 -175.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.406 ' H ' ' HB2' ' A' ' 56' ' ' ARG . . . -156.7 18.07 0.42 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.603 -0.999 . . . . 63.409999999999997 110.603 175.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -124.72 132.72 53.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.619 . . . . 73.209999999999994 109.327 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -91.39 130.55 37.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 70.209999999999994 111.394 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.06 125.83 52.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.956 . . . . 74.319999999999993 110.285 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -97.25 107.05 19.48 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.603 -0.517 . . . . 72.140000000000001 109.603 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.418 HD22 ' HE2' ' A' ' 31' ' ' MET . 68.9 mt -109.58 142.2 41.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.187 -0.46 . . . . 55.299999999999997 110.792 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -78.3 171.58 14.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.549 . . . . 75.099999999999994 110.26 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -57.33 -37.07 71.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 72.140000000000001 110.879 -173.454 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.542 ' O ' ' HG3' ' A' ' 69' ' ' MET . 18.0 m -59.66 -45.25 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.408 0.521 . . . . 51.119999999999997 112.408 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -31.74 61.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 71.5 110.641 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.29 73.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 75.349999999999994 111.214 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.63 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 6.1 pt-20 -87.71 3.13 49.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 73.230000000000004 110.885 177.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.542 ' HG3' ' O ' ' A' ' 65' ' ' SER . 67.1 mtt -98.39 -27.03 14.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.956 0.408 . . . . 74.540000000000006 110.104 174.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.442 HG12 HD11 ' A' ' 28' ' ' ILE . 56.3 mt -85.99 98.33 6.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.312 -0.404 . . . . 74.540000000000006 110.406 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.537 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.2 tp10 -74.42 123.39 24.59 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.579 -0.897 . . . . 72.400000000000006 108.579 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -129.17 -176.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.734 0.778 . . . . 73.019999999999996 112.217 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -144.3 130.88 20.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.587 -1.188 . . . . 75.439999999999998 109.107 175.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.505 HD11 HE21 ' A' ' 11' ' ' GLN . 30.1 tp . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.192 -0.458 . . . . 62.109999999999999 110.328 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.339 -0.615 . . . . 74.209999999999994 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -105.58 148.83 26.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.235 -0.439 . . . . 72.400000000000006 110.673 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.28 -25.56 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.435 0.636 . . . . 71.420000000000002 109.737 176.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.882 ' HD2' ' HG3' ' A' ' 68' ' ' GLU . 31.6 ttt-85 -58.9 -23.93 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.049 -0.978 . . . . 74.109999999999999 111.285 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -114.23 8.22 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.262 0.553 . . . . 73.329999999999998 110.841 -172.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 126.83 30.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 73.25 109.905 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 12.2 mptt -77.8 157.02 30.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.188 -0.46 . . . . 71.420000000000002 111.3 -175.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.06 130.13 41.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.036 -0.529 . . . . 63.43 110.958 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 4.65 59.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.832 -0.699 . . . . 75.5 112.206 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -94.88 156.52 16.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.092 0.473 . . . . 45.039999999999999 110.93 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 m -118.68 114.43 22.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.531 -0.759 . . . . 61.039999999999999 109.123 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.39 162.58 12.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.46 . . . . 71.150000000000006 111.474 -174.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' CE ' ' HB3' ' A' ' 38' ' ' GLU . 2.5 tpmt? -119.27 120.34 36.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.56 -0.746 . . . . 75.340000000000003 109.473 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.592 ' HA ' HG12 ' A' ' 72' ' ' VAL . 53.0 t -69.34 125.51 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 110.364 -0.236 . . . . 73.239999999999995 110.364 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG21 ' HG2' ' A' ' 71' ' ' GLU . 10.7 m -120.33 -41.95 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.308 0.485 . . . . 75.219999999999999 112.308 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.799 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 60.9 mttp -132.09 150.42 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.04 0.448 . . . . 73.030000000000001 111.035 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.48 95.28 4.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.412 -0.588 . . . . 63.229999999999997 109.412 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -85.42 2.32 44.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 72.540000000000006 111.874 -172.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . -65.67 -45.16 90.65 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.79 -0.719 . . . . 65.230000000000004 111.808 176.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.439 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 10.7 m 75.23 133.42 0.05 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.21 0.604 . . . . 75.540000000000006 112.431 174.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 26' ' ' ARG . . . 55.87 -107.1 0.73 Allowed Glycine 0 C--N 1.334 0.462 0 CA-C-N 115.528 -0.76 . . . . 72.230000000000004 113.694 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.74 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.168 0.508 . . . . 72.430000000000007 111.733 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.85 -45.47 64.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 72.140000000000001 110.637 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 21' ' ' THR . 96.4 mttt -58.25 -48.6 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 74.120000000000005 110.839 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 30.5 mmm-85 -57.69 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.010000000000005 111.616 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -57.7 -45.1 86.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.838 0.352 . . . . 72.310000000000002 110.859 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.443 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 94.9 mt -63.97 -46.48 93.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.084 -0.507 . . . . 75.109999999999999 110.962 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.92 -34.79 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 74.329999999999998 111.236 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.81 -29.93 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 73.329999999999998 110.945 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.722 ' HE2' HD22 ' A' ' 62' ' ' LEU . 63.8 mtm -81.02 2.43 27.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.07 -0.514 . . . . 62.200000000000003 110.905 178.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.98 -5.31 59.45 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.898 -0.668 . . . . 50.229999999999997 112.509 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.564 HG12 HG11 ' A' ' 55' ' ' VAL . 27.5 mt -86.25 95.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.446 . . . . 74.150000000000006 109.979 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 p -118.77 154.01 33.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 62.119999999999997 110.67 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -60.67 121.27 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 71.140000000000001 110.006 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.02 -18.79 9.64 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.862 -0.685 . . . . 75.299999999999997 112.104 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -84.45 167.39 16.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.875 0.369 . . . . 74.129999999999995 110.712 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.433 ' HB3' ' CE ' ' A' ' 14' ' ' LYS . 8.2 pt-20 -117.41 140.95 48.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.053 -0.521 . . . . 71.439999999999998 110.355 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.695 HG12 HG23 ' A' ' 55' ' ' VAL . 55.8 mt -124.54 130.18 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.956 -0.566 . . . . 71.340000000000003 110.401 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -100.09 120.71 40.27 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.579 -0.737 . . . . 72.519999999999996 109.533 173.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.483 ' N ' HD13 ' A' ' 41' ' ' ILE . 3.8 mp -94.97 125.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.249 -0.432 . . . . 63.439999999999998 110.034 -177.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.872 HH12 ' HE2' ' A' ' 59' ' ' GLU . 1.2 mpt_? -97.51 -57.33 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.986 0.422 . . . . 64.420000000000002 111.226 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 59.3 mmtt -121.8 130.33 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 112.246 -172.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.2 t -122.25 123.91 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.925 -1.034 . . . . 73.129999999999995 108.377 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 150.12 91.79 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.648 -0.251 . . . . 71.530000000000001 110.972 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.52 -17.75 55.76 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.91 2.407 . . . . 73.239999999999995 112.66 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.711 ' H ' HD21 ' A' ' 47' ' ' LEU . 2.3 pt? -111.09 6.21 20.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 71.310000000000002 110.434 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.48 -78.83 0.25 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 121.03 -0.605 . . . . 74.519999999999996 112.645 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.776 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 9.2 p-10 -91.07 149.42 39.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.675 0.274 . . . . 65.230000000000004 111.221 -175.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -93.85 157.84 18.3 Favored 'Cis proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.942 -1.274 . . . . 64.409999999999997 112.712 -2.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.417 HG22 HG23 ' A' ' 53' ' ' ILE . 63.6 mt -105.08 129.69 57.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.032 -0.531 . . . . 72.409999999999997 110.504 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 2.0 mp0 -99.67 112.77 24.97 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.288 -0.415 . . . . 63.009999999999998 110.472 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 34.8 pt -125.78 163.74 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 73.219999999999999 110.87 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 27.0 t-20 -120.22 122.8 41.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 73.209999999999994 110.076 177.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.74 HG12 ' HG2' ' A' ' 56' ' ' ARG . 40.0 t -132.58 129.19 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 75.420000000000002 109.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.74 ' HG2' HG12 ' A' ' 55' ' ' VAL . 36.4 mmt180 67.0 9.69 7.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.319 0.387 . . . . 72.129999999999995 111.178 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.27 -16.04 60.51 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.627 -0.589 . . . . 55.43 111.627 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.438 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 93.1 m-85 -86.83 152.93 22.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.419 . . . . 74.530000000000001 110.72 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.872 ' HE2' HH12 ' A' ' 42' ' ' ARG . 32.7 mm-40 -85.56 122.45 29.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 75.299999999999997 110.042 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.453 ' HG ' HD12 ' A' ' 33' ' ' ILE . 3.6 mm? -119.04 131.32 55.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.251 0.548 . . . . 74.239999999999995 110.849 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -122.24 106.67 11.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.804 -0.635 . . . . 61.32 109.722 176.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.722 HD22 ' HE2' ' A' ' 31' ' ' MET . 74.2 mt -109.72 149.61 29.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.938 0.399 . . . . 75.340000000000003 111.055 -176.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 5.6 tpp180 -73.55 163.77 27.56 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.88 -0.6 . . . . 71.400000000000006 109.939 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.776 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 33.0 ttmt -46.65 -45.03 18.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.135 -0.939 . . . . 75.219999999999999 111.606 175.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 p -56.43 -50.69 70.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.73 -0.668 . . . . 50.399999999999999 112.464 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -64.81 -51.93 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 73.430000000000007 111.392 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.56 -30.9 67.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.777 0.798 . . . . 43.240000000000002 110.982 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.882 ' HG3' ' HD2' ' A' ' 5' ' ' ARG . 32.4 tt0 -69.91 -26.99 64.42 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.458 -1.246 . . . . 73.409999999999997 111.28 -175.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.439 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 65.4 mtt -96.48 -3.93 42.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.073 0.464 . . . . 74.329999999999998 111.127 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.443 HG22 HG13 ' A' ' 72' ' ' VAL . 70.5 mt -92.17 121.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 64.310000000000002 110.494 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.799 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.8 tt0 -97.68 118.9 35.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.585 -0.524 . . . . 73.209999999999994 109.585 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.7 m -124.29 163.73 23.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.635 -0.711 . . . . 74.319999999999993 110.009 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -117.54 153.02 33.91 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.675 -0.693 . . . . 71.010000000000005 109.137 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 71.519999999999996 110.41 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.1 t80 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 109.201 -0.666 . . . . 53.219999999999999 109.201 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.593 ' HG ' ' HE ' ' A' ' 5' ' ' ARG . 14.7 p -85.18 160.44 19.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.972 0.415 . . . . 62.119999999999997 111.671 -174.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.701 HD13 HG11 ' A' ' 72' ' ' VAL . 47.3 tp -67.39 -31.2 71.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.91 -0.586 . . . . 64.519999999999996 110.646 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.042 ' HG2' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.81 -6.56 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 74.510000000000005 110.852 179.053 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -96.15 0.29 51.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.729 0.776 . . . . 70.340000000000003 109.689 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.27 133.6 34.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.792 . . . . 55.350000000000001 110.541 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -78.86 161.84 26.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 73.409999999999997 111.502 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 t -65.92 132.24 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.265 -0.879 . . . . 74.420000000000002 110.762 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.87 3.67 62.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.954 -0.641 . . . . 72.329999999999998 112.688 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -108.48 146.81 32.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.898 0.38 . . . . 74.109999999999999 110.995 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -104.58 115.21 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 74.420000000000002 110.119 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 HG12 HD23 ' A' ' 74' ' ' LEU . 20.8 m -115.08 153.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.051 -0.522 . . . . 72.049999999999997 110.114 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -108.88 128.33 54.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.484 0.183 . . . . 74.299999999999997 111.128 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.855 ' HA ' HG12 ' A' ' 72' ' ' VAL . 65.9 t -70.89 127.7 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 64.150000000000006 110.666 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.555 HG21 ' HG3' ' A' ' 71' ' ' GLU . 5.6 m -112.6 -41.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.502 0.556 . . . . 54.450000000000003 112.502 -176.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HB3' ' OE1' ' A' ' 71' ' ' GLU . 4.7 mtmt -144.5 153.32 41.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.059 0.457 . . . . 70.340000000000003 111.164 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.549 HD21 HG23 ' A' ' 70' ' ' ILE . 66.6 mt -124.18 124.41 42.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.565 -0.743 . . . . 61.030000000000001 110.257 -177.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.557 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 67.7 m-70 -93.24 152.55 19.12 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.752 -0.462 . . . . 62.25 109.752 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.67 161.25 9.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.64 -0.79 . . . . 70.209999999999994 112.387 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -90.25 55.27 3.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.913 0.863 . . . . 53.399999999999999 111.269 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.16 -64.99 2.71 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.785 -0.643 . . . . 40.140000000000001 113.009 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.3 98.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 63.119999999999997 111.131 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 49.9 tp -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 71.420000000000002 110.498 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 94.2 mttt -59.97 -46.87 88.04 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-O 120.888 0.375 . . . . 75.310000000000002 110.482 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -59.11 -45.26 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 61.130000000000003 110.863 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -55.02 -51.51 66.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 60.32 110.751 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.673 HG22 ' HB ' ' A' ' 33' ' ' ILE . 81.5 mt -56.97 -45.38 83.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 73.450000000000003 111.14 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 61.9 mtm -70.51 -29.24 65.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 73.230000000000004 111.441 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.98 -38.35 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 53.119999999999997 110.945 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.528 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.9 mpp? -70.05 -17.99 63.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.809 0.338 . . . . 74.450000000000003 111.021 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.64 -5.93 14.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.835 -0.697 . . . . 73.109999999999999 112.288 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.673 ' HB ' HG22 ' A' ' 28' ' ' ILE . 18.0 mm -82.39 108.65 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.774 0.321 . . . . 74.209999999999994 110.216 -177.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -142.55 -179.42 6.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.706 -0.398 . . . . 70.540000000000006 110.663 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -75.89 125.67 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.77 0.319 . . . . 64.319999999999993 110.718 -174.577 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.57 7.43 51.29 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.834 -0.698 . . . . 54.299999999999997 113.174 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.65 140.74 35.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.068 0.434 . . . . 71.120000000000005 110.484 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.1 mp0 -90.66 129.78 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.807 -0.442 . . . . 74.329999999999998 109.807 175.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.672 HD12 HG23 ' A' ' 33' ' ' ILE . 59.6 mt -118.84 118.43 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.108 0.48 . . . . 63.200000000000003 110.827 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -80.43 114.85 19.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.61 -0.723 . . . . 51.119999999999997 109.542 171.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -76.02 103.33 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.363 -0.606 . . . . 75.140000000000001 109.363 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -66.26 -56.2 12.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.906 -0.588 . . . . 72.420000000000002 110.821 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -152.52 134.14 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.854 0.359 . . . . 73.140000000000001 111.373 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.74 131.78 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.964 -0.754 . . . . 73.129999999999995 108.964 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.78 145.23 70.2 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.675 -0.239 . . . . 74.239999999999995 111.072 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.15 -18.38 57.91 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.831 2.354 . . . . 74.409999999999997 112.723 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.707 ' H ' HD21 ' A' ' 47' ' ' LEU . 1.9 pt? -106.74 11.2 30.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 64.340000000000003 110.511 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 -77.02 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.697 -0.561 . . . . 72.310000000000002 111.697 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.715 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 1.9 p-10 -125.68 170.57 9.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.923 -0.399 . . . . 71.510000000000005 109.923 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.715 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 59.7 Cg_endo -70.82 139.5 58.09 Favored 'Cis proline' 0 C--N 1.351 0.684 0 C-N-CA 123.809 -1.329 . . . . 63.020000000000003 113.121 3.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.7 mt -94.54 121.17 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.575 -0.739 . . . . 74.209999999999994 109.288 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 51.3 mt-30 -91.97 118.28 30.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 75.319999999999993 110.565 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.408 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.0 pt -120.82 137.11 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.924 -0.58 . . . . 72.129999999999995 110.534 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -95.07 110.42 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 50.149999999999999 111.005 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.9 HG12 ' HG2' ' A' ' 56' ' ' ARG . 52.2 t -145.3 134.14 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 73.400000000000006 110.172 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.9 ' HG2' HG12 ' A' ' 55' ' ' VAL . 35.5 mmt180 67.18 20.86 10.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 122.942 0.497 . . . . 53.439999999999998 110.952 175.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.92 12.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.655 -0.783 . . . . 44.439999999999998 111.558 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -89.05 157.16 18.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.986 0.422 . . . . 75.420000000000002 110.604 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -113.07 110.48 20.53 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.022 -0.733 . . . . 63.439999999999998 109.022 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 31' ' ' MET . 51.0 mt -90.27 149.56 22.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.979 -1.009 . . . . 73.109999999999999 111.271 -169.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 m -100.63 106.73 18.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.824 -0.625 . . . . 71.239999999999995 109.35 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.56 137.7 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.94 0.4 . . . . 73.209999999999994 111.004 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.517 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 17.5 tpt180 -73.46 142.41 46.85 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.809 -0.632 . . . . 61.310000000000002 109.416 177.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.658 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 22.4 pttm -58.17 -34.49 70.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.493 -0.322 . . . . 74.420000000000002 111.52 -176.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -60.17 -44.0 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.98 0.419 . . . . 71.519999999999996 111.105 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 73.439999999999998 110.644 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 5' ' ' ARG . . . -69.24 -20.75 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 73.319999999999993 111.159 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 1.042 ' HG2' ' HG2' ' A' ' 5' ' ' ARG . 40.2 mt-10 -86.55 -17.04 35.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.518 . . . . 74.450000000000003 110.065 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 1.9 tpt -86.75 -16.01 37.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 73.299999999999997 110.309 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.549 HG23 HD21 ' A' ' 18' ' ' LEU . 73.9 mt -100.4 132.06 46.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.841 -0.618 . . . . 74.409999999999997 110.055 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.555 ' HG3' HG21 ' A' ' 16' ' ' VAL . 2.7 pt-20 -106.1 142.83 35.14 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 119.478 -0.889 . . . . 75.209999999999994 110.708 171.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.855 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -135.51 176.17 9.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.925 -1.034 . . . . 62.539999999999999 109.764 -177.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -126.07 144.08 50.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.961 0.41 . . . . 74.549999999999997 110.682 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.471 HD23 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 108.552 -0.907 . . . . 74.209999999999994 108.552 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.632 ' HD2' HG21 ' A' ' 72' ' ' VAL . 70.1 t80 . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 108.751 -0.833 . . . . 75.120000000000005 108.751 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.662 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 13.0 m -83.13 151.3 25.78 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.834 -0.621 . . . . 74.109999999999999 110.937 -175.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 39' ' ' ILE . 42.1 tp -64.58 -23.57 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 75.109999999999999 110.518 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.735 ' HE ' ' HD2' ' A' ' 6' ' ' ASP . 1.1 ptt180 -64.21 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 74.549999999999997 110.571 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.735 ' HD2' ' HE ' ' A' ' 5' ' ' ARG . 2.5 m-20 -88.7 -1.09 57.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.834 -0.621 . . . . 52.509999999999998 111.04 -176.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.22 118.44 26.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.607 -0.516 . . . . 65.420000000000002 109.607 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HA ' HG22 ' A' ' 44' ' ' VAL . 1.3 mptm? -94.84 170.87 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.309 0.576 . . . . 75.329999999999998 112.02 -173.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 5.2 p -60.77 124.28 19.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.255 -0.884 . . . . 72.310000000000002 111.286 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.91 -9.79 60.15 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.762 -0.732 . . . . 61.409999999999997 112.252 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -93.49 157.83 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.082 0.468 . . . . 74.530000000000001 110.567 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -126.86 128.58 46.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.724 . . . . 75.109999999999999 109.721 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.481 HG12 HD23 ' A' ' 74' ' ' LEU . 24.5 m -128.05 177.86 5.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.417 -0.356 . . . . 73.340000000000003 110.733 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -132.38 126.95 34.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.953 -0.567 . . . . 52.43 110.332 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.876 ' HA ' HG12 ' A' ' 72' ' ' VAL . 60.8 t -78.88 125.68 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.981 -0.377 . . . . 71.109999999999999 109.981 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.94 -44.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.144 -0.622 . . . . 70.129999999999995 112.462 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.32 137.56 40.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.568 0.699 . . . . 62.219999999999999 111.643 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 70' ' ' ILE . 46.8 mt -100.89 119.1 38.2 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.288 -0.869 . . . . 65.209999999999994 108.788 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 69' ' ' MET . 52.6 m170 -88.36 -2.92 58.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.752 0.31 . . . . 53.109999999999999 111.58 -173.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.9 165.9 40.44 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.696 -0.764 . . . . 75.25 112.273 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.761 HG23 ' H ' ' A' ' 22' ' ' GLY . 1.6 m -85.33 -174.86 5.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.612 -0.514 . . . . 61.340000000000003 109.612 177.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.761 ' H ' HG23 ' A' ' 21' ' ' THR . . . -50.65 -43.49 46.46 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.666 0.627 . . . . 45.329999999999998 114.666 -173.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.148 0.474 . . . . 72.019999999999996 110.882 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' HE2' ' A' ' 69' ' ' MET . 4.2 mm? -72.64 -46.49 53.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 51.530000000000001 109.977 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB3' ' HE1' ' A' ' 29' ' ' MET . 99.5 mttt -56.09 -53.71 53.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 72.329999999999998 111.084 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -64.8 -33.66 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.510000000000005 111.059 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpt180 -61.88 -46.99 86.98 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.141 0.496 . . . . 70.530000000000001 110.149 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.698 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 63.1 mt -71.41 -37.06 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.555 -0.748 . . . . 65.540000000000006 110.881 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.575 ' HE1' ' HB3' ' A' ' 25' ' ' LYS . 67.9 mtt -65.31 -43.24 91.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 71.5 111.173 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.22 -33.15 70.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.405 0.621 . . . . 61.039999999999999 110.279 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.698 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 3.0 ttp -67.9 -24.21 65.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.063 -0.972 . . . . 60.450000000000003 110.842 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.82 -15.75 16.47 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.089 -0.577 . . . . 51.149999999999999 112.072 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.606 ' HB ' HG22 ' A' ' 28' ' ' ILE . 18.2 mt -82.16 115.4 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 51.119999999999997 110.183 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 p -131.71 -176.23 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.988 -0.551 . . . . 55.420000000000002 110.997 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -81.13 128.88 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.06 -0.348 . . . . 73.099999999999994 110.06 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.03 27.45 37.39 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.035 -0.602 . . . . 72.040000000000006 112.62 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.83 149.26 28.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.89 0.345 . . . . 75.230000000000004 110.516 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.46 120.81 26.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.661 -0.7 . . . . 64.409999999999997 109.953 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 4' ' ' LEU . 38.1 mm -112.63 114.48 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.032 -0.531 . . . . 74.530000000000001 110.773 -175.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.429 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 90.6 t80 -104.18 124.55 49.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 74.310000000000002 109.959 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 mm -91.1 118.85 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 74.349999999999994 110.694 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 37.2 mmt180 -74.55 -56.73 4.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.747 -0.66 . . . . 74.239999999999995 110.506 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 73.4 tttt -147.85 137.67 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.629 . . . . 75.230000000000004 111.172 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 8' ' ' LYS . 61.4 t -113.39 123.49 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.791 -0.818 . . . . 73.340000000000003 108.791 170.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -71.8 144.47 88.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.591 -0.277 . . . . 45.539999999999999 110.629 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 38.1 Cg_exo -62.45 -22.15 73.68 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.949 2.432 . . . . 73.340000000000003 112.287 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -80.24 -18.36 49.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.852 -0.613 . . . . 72.400000000000006 109.819 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.06 -43.02 1.54 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.649 -0.705 . . . . 55.25 111.657 -178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.687 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.3 p-10 -155.66 167.94 13.21 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.443 -0.577 . . . . 74.030000000000001 109.443 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.687 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 56.6 Cg_endo -70.43 147.59 86.39 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.888 -1.297 . . . . 54.439999999999998 113.618 2.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.35 132.16 39.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.345 -0.843 . . . . 63.229999999999997 109.048 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -98.5 121.57 40.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.245 . . . . 74.040000000000006 110.517 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.586 HG21 HG23 ' A' ' 39' ' ' ILE . 2.7 mp -120.79 158.37 23.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.712 -0.477 . . . . 62.409999999999997 109.712 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 53' ' ' ILE . 27.3 t-20 -118.93 110.14 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.66 -0.496 . . . . 61.409999999999997 109.66 173.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.59 HG12 ' HG2' ' A' ' 56' ' ' ARG . 45.6 t -130.06 129.16 65.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.232 -0.655 . . . . 64.519999999999996 109.232 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.59 ' HG2' HG12 ' A' ' 55' ' ' VAL . 5.0 mmt85 63.98 19.73 11.88 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.195 0.521 . . . . 74.510000000000005 110.402 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.28 7.24 87.93 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.938 -0.573 . . . . 63.439999999999998 112.031 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 130.16 54.74 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.142 -0.318 . . . . 71.540000000000006 110.142 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.08 135.34 42.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.729 -0.471 . . . . 52.140000000000001 109.729 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.618 HD13 ' HG2' ' A' ' 31' ' ' MET . 84.6 mt -126.76 135.08 50.6 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.807 -0.633 . . . . 73.230000000000004 110.8 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -98.27 106.6 18.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 74.540000000000006 109.79 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.591 HD13 ' HE2' ' A' ' 31' ' ' MET . 61.6 tp -106.49 141.94 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.113 0.482 . . . . 54.0 110.532 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 139.26 38.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.775 -0.648 . . . . 73.010000000000005 109.817 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 49' ' ' ASP . 23.5 pttm -60.27 -30.76 69.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.507 -0.315 . . . . 70.329999999999998 111.312 -175.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 m -60.05 -39.35 85.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 74.439999999999998 110.865 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.553 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -76.11 -33.69 59.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.06 0.457 . . . . 74.209999999999994 110.573 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.29 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.053 -0.521 . . . . 72.200000000000003 111.434 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.662 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 11.6 pt-20 -92.48 5.77 49.58 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 62.350000000000001 112.087 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 21.4 ptm -114.68 14.7 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.306 0.574 . . . . 73.129999999999995 110.347 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 66' ' ' ALA . 39.2 mm -116.46 134.94 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 74.219999999999999 110.756 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.613 ' HE2' ' H ' ' A' ' 2' ' ' PHE . 10.7 tp10 -91.52 115.39 28.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.965 -0.561 . . . . 65.109999999999999 109.593 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.876 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.1 m -132.08 169.66 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.916 0.389 . . . . 50.539999999999999 110.824 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.86 166.0 21.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.251 -0.432 . . . . 73.150000000000006 110.094 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.481 HD23 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 120.929 0.395 . . . . 74.340000000000003 110.98 -177.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.0 t80 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.033 -0.729 . . . . 70.219999999999999 109.033 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -76.64 141.16 41.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.545 -0.298 . . . . 75.239999999999995 111.057 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 62.6 tp -60.48 -33.01 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 73.530000000000001 110.258 176.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.47 ' HD3' ' HA2' ' A' ' 48' ' ' GLY . 0.7 OUTLIER -67.07 -28.76 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 74.299999999999997 110.483 177.001 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.62 -13.3 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 75.319999999999993 111.059 -173.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 -174.1 2.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.942 -0.572 . . . . 74.019999999999996 110.534 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -133.18 170.02 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.515 0.198 . . . . 73.150000000000006 110.575 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.6 p -74.58 147.75 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.479 -0.328 . . . . 61.140000000000001 110.855 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.51 0.08 88.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.969 -0.634 . . . . 22.129999999999999 112.278 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -100.17 143.45 30.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 71.319999999999993 110.519 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 m -104.99 111.71 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 72.319999999999993 110.337 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.456 HG12 HD13 ' A' ' 74' ' ' LEU . 33.7 m -112.73 160.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.083 -0.508 . . . . 64.400000000000006 110.87 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 9.3 ttmt -121.2 134.45 55.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 73.340000000000003 109.621 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.56 ' HA ' HG12 ' A' ' 72' ' ' VAL . 47.0 t -70.83 121.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 121.126 -0.23 . . . . 53.109999999999999 110.491 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -32.03 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.137 0.421 . . . . 64.239999999999995 112.137 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.753 ' HZ1' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -138.34 123.94 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.727 -0.389 . . . . 70.25 111.609 -178.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.581 HD21 HD13 ' A' ' 70' ' ' ILE . 98.9 mt -103.75 102.87 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.544 . . . . 74.120000000000005 109.836 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 69' ' ' MET . 26.4 m-70 -78.76 173.14 12.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.876 0.369 . . . . 75.150000000000006 110.126 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.635 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 96.81 176.87 35.25 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.271 -0.731 . . . . 44.130000000000003 111.271 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -133.3 118.95 19.14 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.164 0.482 . . . . 61.219999999999999 111.062 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.07 -90.74 0.09 OUTLIER Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.934 -0.575 . . . . 65.109999999999999 113.748 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.14 57.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.097 0.406 . . . . 64.310000000000002 112.097 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.55 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 62.520000000000003 110.858 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -59.72 -53.2 60.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.685 -0.689 . . . . 44.240000000000002 110.933 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -57.69 -40.3 79.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.717 -0.674 . . . . 72.319999999999993 110.885 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 75.439999999999998 110.443 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.696 HG22 ' HB ' ' A' ' 33' ' ' ILE . 59.1 mt -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.725 -0.67 . . . . 61.32 111.585 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 69.3 mtm -66.31 -34.28 77.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.995 0.369 . . . . 75.219999999999999 111.995 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.04 -28.36 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 63.340000000000003 110.999 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.664 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 67.9 mtm -81.11 -4.14 54.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 72.040000000000006 111.054 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.49 -1.24 34.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.067 -0.587 . . . . 63.219999999999999 112.112 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.696 ' HB ' HG22 ' A' ' 28' ' ' ILE . 29.7 mt -96.22 102.45 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 74.319999999999993 110.986 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.518 ' HA ' HD11 ' A' ' 18' ' ' LEU . 9.0 t -139.11 165.56 26.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.634 -0.506 . . . . 75.239999999999995 109.634 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.36 124.86 21.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.309 0.576 . . . . 71.530000000000001 110.433 -177.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.54 -31.57 5.9 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.415 -0.811 . . . . 54.399999999999999 111.548 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.1 151.82 24.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.792 0.329 . . . . 64.239999999999995 110.503 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -102.39 160.98 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 64.430000000000007 110.907 179.05 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.575 HD12 HG23 ' A' ' 33' ' ' ILE . 76.3 mt -135.14 126.47 46.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.554 -0.748 . . . . 60.509999999999998 110.004 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.446 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 89.0 t80 -89.36 116.24 27.42 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.027 -0.731 . . . . 71.129999999999995 109.027 171.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.41 123.19 37.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.972 0.415 . . . . 55.539999999999999 111.117 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 14.4 mmt85 -90.34 -57.41 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.828 -0.624 . . . . 74.310000000000002 111.326 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 64.1 mmtt -140.71 114.65 9.05 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.16 0.43 . . . . 73.319999999999993 112.16 -174.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.0 t -113.64 124.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.558 -0.904 . . . . 71.549999999999997 108.558 169.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.49 144.1 93.91 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 120.974 -0.29 . . . . 74.340000000000003 110.282 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 53.2 Cg_exo -56.83 -27.73 73.43 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.899 2.399 . . . . 70.25 112.272 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tt -85.12 -44.62 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 71.340000000000003 109.642 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA2' ' HD3' ' A' ' 5' ' ' ARG . . . 162.9 -86.85 0.11 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.987 -0.625 . . . . 73.510000000000005 112.124 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.661 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 6.2 p-10 -84.44 151.24 58.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.518 0.199 . . . . 74.150000000000006 110.559 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -88.34 166.33 40.62 Favored 'Cis proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.372 -1.512 . . . . 71.200000000000003 112.613 -0.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.432 HG22 HG23 ' A' ' 53' ' ' ILE . 4.3 mp -117.78 102.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 70.329999999999998 109.823 178.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.575 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 93.7 mt-30 -89.13 126.99 35.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.852 -0.613 . . . . 71.400000000000006 109.887 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.458 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 pt -135.74 151.51 29.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.986 -0.552 . . . . 64.329999999999998 110.579 -175.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -110.68 110.81 21.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 64.510000000000005 109.376 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.63 HG12 ' HG3' ' A' ' 56' ' ' ARG . 38.6 t -114.27 118.6 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 44.340000000000003 110.356 -177.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HG3' HG12 ' A' ' 55' ' ' VAL . 36.7 mtp180 69.34 -7.69 0.8 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.662 -0.699 . . . . 74.239999999999995 112.124 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.85 -19.43 5.83 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.582 -0.607 . . . . 63.25 111.582 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -90.64 132.68 35.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.11 0.481 . . . . 74.329999999999998 110.731 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -90.46 124.0 34.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 73.319999999999993 110.231 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.5 156.95 34.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.527 -0.76 . . . . 71.340000000000003 110.583 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -127.62 110.72 12.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.69 -0.485 . . . . 72.430000000000007 109.69 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.565 HD22 ' HE2' ' A' ' 31' ' ' MET . 36.8 mt -106.46 159.36 16.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 74.329999999999998 110.785 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.67 168.98 11.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.068 -0.514 . . . . 71.340000000000003 110.4 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -58.97 -42.2 89.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 61.450000000000003 110.785 -176.195 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 m -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 111.815 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -72.36 -44.98 61.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.047 0.451 . . . . 60.0 111.031 -178.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 4' ' ' LEU . . . -63.52 -33.86 76.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.309 0.576 . . . . 75.310000000000002 111.384 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.66 -13.39 51.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.879 -0.601 . . . . 72.129999999999995 111.386 -174.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptm -97.33 -1.02 45.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.043 0.449 . . . . 72.430000000000007 110.37 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.581 HD13 HD21 ' A' ' 18' ' ' LEU . 37.0 mm -105.92 126.81 61.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.903 0.382 . . . . 72.219999999999999 110.474 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.748 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 2.3 tt0 -97.24 125.29 41.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.693 . . . . 72.140000000000001 109.461 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 15' ' ' VAL . 24.6 m -127.07 160.32 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 62.509999999999998 111.414 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HE2' ' HZ3' ' A' ' 14' ' ' LYS . 22.2 tt0 -104.54 124.8 49.94 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.003 -0.999 . . . . 74.219999999999999 109.792 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD13 HG12 ' A' ' 13' ' ' VAL . 14.0 tp . . . . . 0 C--N 1.31 -1.15 0 N-CA-C 109.686 -0.487 . . . . 65.209999999999994 109.686 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.784 ' H ' ' HE2' ' A' ' 71' ' ' GLU . 40.6 t80 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 108.864 -0.791 . . . . 75.239999999999995 108.864 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 80.1 p -90.37 172.5 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.97 -0.559 . . . . 15.44 111.179 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.561 HD13 HG11 ' A' ' 72' ' ' VAL . 27.9 tp -64.12 -23.48 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 44.100000000000001 110.039 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -83.57 -8.44 59.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.874 -0.603 . . . . 71.430000000000007 110.672 177.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -90.5 -11.29 40.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.842 0.353 . . . . 71.230000000000004 110.254 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.89 172.2 14.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 72.140000000000001 110.279 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 2.9 mptp? -125.01 156.23 38.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.613 -0.267 . . . . 74.299999999999997 110.294 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 p -64.15 129.51 40.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 71.010000000000005 110.344 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.79 43.63 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.814 -0.708 . . . . 73.420000000000002 112.147 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.37 147.93 39.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 60.439999999999998 111.227 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -109.07 121.02 44.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.841 -0.618 . . . . 63.539999999999999 109.892 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.5 m -120.75 172.5 7.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.287 -0.415 . . . . 71.150000000000006 110.301 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 45.1 mtmt -131.83 150.68 52.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.851 0.358 . . . . 71.030000000000001 110.457 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.688 ' HB ' ' HA ' ' A' ' 35' ' ' ARG . 38.8 t -80.31 131.17 34.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.801 -0.636 . . . . 74.120000000000005 110.496 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.4 m -120.11 -41.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.981 0.363 . . . . 72.150000000000006 111.981 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -140.42 139.18 35.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.766 0.317 . . . . 64.25 110.158 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.09 116.4 29.08 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.903 -0.319 . . . . 34.229999999999997 110.831 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 69' ' ' MET . 9.2 m-70 -86.67 154.13 21.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.45 -0.574 . . . . 71.219999999999999 109.45 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.08 164.04 10.44 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.275 -0.964 . . . . 75.329999999999998 112.778 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.28 33.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.876 0.369 . . . . 63.439999999999998 111.517 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.27 -64.87 3.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.111 -0.566 . . . . 63.409999999999997 112.6 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.61 92.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.62 0.248 . . . . 72.540000000000006 111.293 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.491 ' O ' HG13 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -61.25 -45.22 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.997 -0.371 . . . . 73.239999999999995 109.997 178.208 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -58.66 -47.72 83.48 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.978 -0.556 . . . . 72.239999999999995 110.96 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.478 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 1.9 tmt_? -63.13 -36.03 82.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 72.530000000000001 110.139 -178.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.02 -41.88 97.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 54.539999999999999 110.418 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 24' ' ' LEU . 76.0 mt -59.67 -48.97 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 55.100000000000001 110.323 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.25 -30.46 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.498 -0.773 . . . . 64.549999999999997 111.047 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.94 -35.62 80.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.056 -0.52 . . . . 61.200000000000003 111.284 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.488 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 65.5 mtm -74.08 -19.73 60.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 73.430000000000007 111.25 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.63 -7.81 11.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.944 -0.646 . . . . 23.239999999999998 112.366 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.561 HG23 HD12 ' A' ' 39' ' ' ILE . 4.2 mp -83.02 96.41 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.24 0.543 . . . . 63.340000000000003 110.084 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 p -118.31 161.16 20.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.686 -0.688 . . . . 53.240000000000002 110.1 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.688 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 16.2 ptt180 -64.52 141.24 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 73.209999999999994 110.537 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.66 -10.53 70.68 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.92 -0.657 . . . . 64.109999999999999 112.5 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.51 143.8 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.846 0.355 . . . . 64.129999999999995 110.838 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 1.1 mp0 -84.86 130.9 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.631 -0.713 . . . . 73.5 110.543 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.804 HG12 HG23 ' A' ' 55' ' ' VAL . 49.9 mt -120.53 115.07 45.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.895 -0.593 . . . . 75.209999999999994 110.016 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 88.6 t80 -93.87 121.57 35.47 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 73.150000000000006 109.849 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.2 mm -75.4 102.13 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.784 -0.821 . . . . 73.420000000000002 108.784 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.634 ' HD3' ' HG2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -89.61 -54.44 4.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.073 -0.512 . . . . 74.019999999999996 111.029 -170.787 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.634 ' HG2' ' HD3' ' A' ' 42' ' ' ARG . 73.5 mmtt -137.61 140.48 40.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 74.439999999999998 111.228 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.24 116.26 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.907 -0.775 . . . . 65.019999999999996 108.907 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.56 143.15 98.58 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 55.130000000000003 111.208 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.61 79.47 1.21 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.035 2.49 . . . . 73.109999999999999 111.63 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 tt -179.26 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.194 -1.039 . . . . 75.340000000000003 108.194 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.02 -30.31 2.96 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.043 -0.981 . . . . 72.420000000000002 111.268 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.513 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.7 p-10 -148.59 157.44 41.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.436 -0.579 . . . . 70.540000000000006 109.436 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 69.1 Cg_endo -86.28 170.29 42.44 Favored 'Cis proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.44 -1.483 . . . . 71.329999999999998 112.901 -0.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -96.25 116.63 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.847 -0.797 . . . . 74.140000000000001 108.847 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.559 ' HB3' ' HB2' ' A' ' 43' ' ' LYS . 35.7 tt0 -89.37 112.82 24.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.286 0.565 . . . . 74.420000000000002 109.864 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.575 HD12 HD21 ' A' ' 62' ' ' LEU . 33.1 pt -121.35 161.23 21.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 65.5 111.461 -173.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 9.2 m120 -111.36 110.96 21.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 72.150000000000006 110.066 174.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.804 HG23 HG12 ' A' ' 39' ' ' ILE . 28.9 t -125.81 135.72 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.354 -0.61 . . . . 52.530000000000001 109.354 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.605 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmt85 67.5 -70.95 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.8 0.687 . . . . 60.549999999999997 110.316 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.61 21.78 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.644 -0.982 . . . . 53.109999999999999 110.644 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -119.72 154.97 33.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.881 0.372 . . . . 61.539999999999999 111.443 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.4 110.53 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.524 -0.917 . . . . 75.109999999999999 108.524 167.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 HD12 ' HB ' ' A' ' 55' ' ' VAL . 97.3 mt -113.59 150.19 33.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.778 0.323 . . . . 71.010000000000005 110.955 -175.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 p -113.98 110.78 20.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 54.119999999999997 110.663 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.575 HD21 HD12 ' A' ' 53' ' ' ILE . 2.5 mm? -107.15 133.54 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.869 -0.605 . . . . 64.299999999999997 110.135 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HD3' HH11 ' A' ' 63' ' ' ARG . 0.2 OUTLIER -73.58 150.61 41.32 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.796 -0.361 . . . . 73.310000000000002 110.028 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -60.79 -31.75 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.437 -0.347 . . . . 70.230000000000004 110.39 -177.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -61.66 -43.07 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 72.140000000000001 110.839 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.96 -39.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.041 0.448 . . . . 45.149999999999999 110.53 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.2 77.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 72.209999999999994 111.583 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 11.8 pt-20 -79.85 4.2 17.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.939 0.348 . . . . 72.329999999999998 111.939 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 16.2 ptm -125.11 8.48 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 74.329999999999998 110.619 175.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.516 ' O ' ' HA ' ' A' ' 3' ' ' SER . 76.5 mt -98.27 117.56 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.501 -0.555 . . . . 54.439999999999998 109.501 173.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.784 ' HE2' ' H ' ' A' ' 2' ' ' PHE . 13.2 tp10 -82.84 121.38 26.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.595 -0.521 . . . . 63.43 109.595 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.561 HG11 HD13 ' A' ' 4' ' ' LEU . 28.6 m -125.53 166.39 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 73.439999999999998 112.076 -176.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -128.85 149.39 50.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.069 -0.969 . . . . 73.299999999999997 109.406 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.614 0.721 . . . . 55.399999999999999 112.548 -172.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.844 ' HZ ' HD21 ' A' ' 74' ' ' LEU . 60.0 t80 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.315 -0.624 . . . . 72.420000000000002 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.652 ' HG ' ' HA ' ' A' ' 68' ' ' GLU . 80.5 p -118.01 -177.33 3.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.727 -0.67 . . . . 63.049999999999997 110.759 -176.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.515 HD22 HD11 ' A' ' 53' ' ' ILE . 21.2 tp -66.18 -18.86 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.514 0.673 . . . . 74.349999999999994 109.637 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.404 ' HB3' ' OG ' ' A' ' 3' ' ' SER . 3.0 tpm_? -70.16 -34.99 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 63.119999999999997 110.623 176.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -88.77 -18.2 28.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.922 -0.581 . . . . 64.340000000000003 111.6 -174.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.546 -0.297 . . . . 74.340000000000003 111.452 -177.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -119.07 161.4 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 71.329999999999998 111.25 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.527 ' HB3' HG21 ' A' ' 44' ' ' VAL . 9.4 p -73.6 146.97 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 65.439999999999998 110.362 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.8 -14.23 65.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.94 -0.648 . . . . 54.119999999999997 111.613 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -94.04 158.95 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 72.340000000000003 110.354 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -119.12 119.72 35.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.973 -0.558 . . . . 75.099999999999994 109.927 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.641 HG12 HD23 ' A' ' 74' ' ' LEU . 31.8 m -120.72 171.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.09 -0.505 . . . . 74.310000000000002 109.933 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -129.51 135.0 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.284 -0.265 . . . . 53.549999999999997 110.284 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.699 HG22 HG23 ' A' ' 33' ' ' ILE . 61.9 t -75.77 117.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 63.229999999999997 110.196 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.31 -29.68 2.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.911 0.708 . . . . 72.409999999999997 112.911 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 77.4 tttt -141.74 139.37 32.83 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.727 0.299 . . . . 73.349999999999994 110.346 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.95 113.55 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.381 -0.372 . . . . 63.140000000000001 110.556 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.17 168.99 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.259 -0.428 . . . . 72.230000000000004 110.334 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.88 173.81 17.45 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.739 -0.743 . . . . 64.340000000000003 112.068 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -76.15 -79.02 0.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.775 0.321 . . . . 72.120000000000005 111.356 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.51 -55.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.89 -0.671 . . . . 70.299999999999997 111.594 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.28 -32.93 73.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.627 0.251 . . . . 74.540000000000006 110.857 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.23 -50.47 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 64.209999999999994 110.358 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 47.0 mtpt -56.52 -53.34 58.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 72.519999999999996 110.758 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.668 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 94.9 mtt180 -65.42 -34.36 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.541 . . . . 74.450000000000003 112.142 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -56.45 -42.95 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.203 0.525 . . . . 74.219999999999999 110.202 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.655 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 77.1 mt -77.2 -52.3 16.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.399 -0.819 . . . . 74.540000000000006 111.439 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.668 ' HG3' ' HA ' ' A' ' 26' ' ' ARG . 4.8 ppp? -64.34 -30.5 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.022 -0.535 . . . . 71.040000000000006 111.741 -174.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.67 -21.67 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 74.010000000000005 111.152 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.655 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 69.5 mtm -89.34 7.01 37.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 70.430000000000007 111.191 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 -1.12 37.32 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.477 -0.868 . . . . 52.509999999999998 112.45 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.858 ' HA ' ' HG ' ' A' ' 37' ' ' CYS . 24.0 mm -86.57 73.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.106 0.479 . . . . 72.420000000000002 109.791 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' ARG . 35.2 p -101.76 22.79 12.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.446 0.536 . . . . 75.120000000000005 112.446 -170.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 34' ' ' THR . 63.7 ttt180 71.46 118.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.734 0.646 . . . . 75.549999999999997 110.556 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.28 18.2 37.17 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.946 -0.862 . . . . 43.450000000000003 110.946 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.858 ' HG ' ' HA ' ' A' ' 33' ' ' ILE . 5.4 p -109.17 132.5 54.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.214 -0.493 . . . . 71.329999999999998 110.035 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 139.24 38.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.177 0.513 . . . . 73.120000000000005 110.905 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.547 HD13 HD13 ' A' ' 53' ' ' ILE . 45.5 mm -115.41 114.71 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.287 -0.87 . . . . 63.009999999999998 110.422 -177.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.699 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t80 -92.62 100.78 13.23 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.695 -0.854 . . . . 71.430000000000007 108.695 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.5 ' HA ' HG22 ' A' ' 53' ' ' ILE . 21.8 mt -71.92 105.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.051 0.453 . . . . 74.219999999999999 109.906 -177.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 42' ' ' ARG . 12.3 tpp85 -80.96 -55.19 4.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.69 -0.686 . . . . 62.420000000000002 111.832 -172.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.2 138.15 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.741 -0.384 . . . . 63.020000000000003 111.558 -168.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 9' ' ' CYS . 60.6 t -115.83 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.563 -0.532 . . . . 75.310000000000002 109.563 175.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.78 146.51 95.66 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.384 -0.371 . . . . 64.409999999999997 111.283 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 36.5 Cg_exo -61.66 -16.38 48.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.395 2.73 . . . . 54.43 113.091 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.4 mt -85.83 0.37 53.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.563 . . . . 74.510000000000005 110.14 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.15 -32.11 7.5 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.515 -0.766 . . . . 71.230000000000004 111.278 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.78 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 18.9 p-10 -155.68 167.52 14.06 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.898 -0.779 . . . . 63.329999999999998 108.898 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.78 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.3 Cg_endo -73.71 153.93 99.37 Favored 'Cis proline' 0 C--O 1.235 0.329 0 C-N-CA 123.209 -1.579 . . . . 72.409999999999997 112.805 2.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.2 mt -94.23 110.9 24.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.57 -0.9 . . . . 73.439999999999998 108.57 174.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -85.89 112.43 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.547 -0.751 . . . . 72.400000000000006 109.675 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.547 HD13 HD13 ' A' ' 39' ' ' ILE . 39.2 pt -120.79 150.33 23.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.065 0.459 . . . . 73.329999999999998 110.777 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.699 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 13.3 m120 -96.88 110.34 22.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 51.229999999999997 110.47 178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.642 HG12 ' HG2' ' A' ' 56' ' ' ARG . 64.7 t -113.94 117.67 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.285 -0.871 . . . . 60.310000000000002 109.548 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.642 ' HG2' HG12 ' A' ' 55' ' ' VAL . 6.3 mmm180 65.09 10.55 6.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.339 -0.846 . . . . 75.510000000000005 111.001 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.13 40.37 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 64.109999999999999 112.343 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 93.2 m-85 -98.17 156.69 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.61 0.205 . . . . 74.239999999999995 110.662 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.529 ' HG3' HD22 ' A' ' 54' ' ' ASN . 24.4 mp0 -102.98 115.99 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.813 -0.44 . . . . 72.099999999999994 109.813 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD23 ' HB3' ' A' ' 31' ' ' MET . 2.4 pp -133.21 154.59 50.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.087 -0.338 . . . . 72.540000000000006 110.087 177.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.682 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 14.0 m -107.57 134.73 50.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 61.130000000000003 112.281 -171.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -112.56 142.02 45.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.793 -0.639 . . . . 73.019999999999996 110.31 173.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -78.79 159.71 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.655 -0.498 . . . . 64.340000000000003 109.655 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -57.57 -38.39 74.75 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 111.609 0.225 . . . . 60.109999999999999 111.609 -175.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 48.7 m -73.43 -35.6 65.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 42.299999999999997 111.017 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.88 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 33.549999999999997 110.787 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.04 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.366 0.603 . . . . 73.219999999999999 110.948 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.652 ' HA ' ' HG ' ' A' ' 3' ' ' SER . 39.7 tt0 -74.81 -17.32 60.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.146 -0.934 . . . . 65.400000000000006 110.904 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.5 mmt -81.48 -10.2 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.255 0.55 . . . . 64.230000000000004 110.072 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.6 mt -98.18 106.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 74.299999999999997 111.048 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 14.2 tp10 -77.3 117.73 19.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 65.010000000000005 109.15 176.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.528 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 35.1 m -123.64 179.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.171 0.51 . . . . 72.219999999999999 111.85 -175.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.08 144.88 23.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.15 -0.932 . . . . 71.230000000000004 109.054 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.844 HD21 ' HZ ' ' A' ' 2' ' ' PHE . 1.2 mm? . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 60.0 110.884 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 t80 . . . . . 0 C--O 1.235 0.336 0 N-CA-C 108.74 -0.837 . . . . 74.549999999999997 108.74 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.673 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 6.1 m -96.2 159.3 15.03 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 110.791 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 1.006 HD21 HG11 ' A' ' 72' ' ' VAL . 2.3 tm? -61.11 -39.46 90.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.771 -0.826 . . . . 71.150000000000006 108.771 174.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.597 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 37.9 ttp180 -44.8 -26.74 0.43 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.3 -1.318 . . . . 55.240000000000002 112.25 171.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -100.09 -0.55 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.475 -0.33 . . . . 73.129999999999995 111.762 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.38 150.93 39.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 74.239999999999995 110.709 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -99.5 165.18 11.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 64.049999999999997 111.321 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.5 p -78.62 26.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.674 -0.694 . . . . 72.230000000000004 112.539 -173.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.34 19.55 0.93 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.934 -0.651 . . . . 44.530000000000001 111.672 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -115.45 143.06 45.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.702 0.287 . . . . 74.109999999999999 110.912 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -89.27 118.49 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.449 -0.574 . . . . 53.539999999999999 109.449 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.712 HG22 HD22 ' A' ' 4' ' ' LEU . 27.5 m -114.18 150.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.09 0.472 . . . . 54.109999999999999 110.631 -177.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 30.4 ttpt -128.89 119.33 24.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.898 -0.592 . . . . 73.019999999999996 109.63 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.4 t -73.53 128.76 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 62.109999999999999 109.734 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.563 HG21 ' HG2' ' A' ' 71' ' ' GLU . 11.0 m -114.62 -40.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.39 -0.524 . . . . 74.230000000000004 112.14 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.665 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 17.5 ttpt -140.55 151.78 45.01 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.021 -0.272 . . . . 74.310000000000002 110.52 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.485 HD21 HG23 ' A' ' 70' ' ' ILE . 94.4 mt -123.61 114.8 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 110.117 -0.327 . . . . 63.350000000000001 110.117 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -89.04 167.95 12.74 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.485 -0.561 . . . . 71.439999999999998 109.485 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.54 -177.82 18.92 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.465 -0.874 . . . . 53.439999999999998 112.668 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -89.07 31.04 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.467 0.651 . . . . 73.239999999999995 110.935 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' HA2' ' HD2' ' A' ' 25' ' ' LYS . . . 79.58 -59.67 4.39 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.804 -0.634 . . . . 74.400000000000006 113.519 175.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.4 -38.32 74.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 62.009999999999998 111.138 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 28' ' ' ILE . 2.0 tm? -75.6 -46.19 33.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.088 -0.506 . . . . 73.120000000000005 110.455 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -67.05 -30.4 70.45 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 74.019999999999996 111.586 -176.377 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -72.8 -38.29 67.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.362 . . . . 75.219999999999999 110.089 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -57.27 -36.73 71.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.867 -0.606 . . . . 71.010000000000005 110.328 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.643 HG22 ' HB ' ' A' ' 33' ' ' ILE . 64.2 mt -63.95 -49.13 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.694 -0.685 . . . . 64.129999999999995 110.629 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.749 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 70.9 mtm -67.9 -33.64 75.1 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 55.43 111.283 -178.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.66 -23.94 66.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 73.430000000000007 111.017 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.472 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 68.7 mtm -87.52 -23.25 24.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 74.340000000000003 111.36 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.4 -29.56 2.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.962 -0.637 . . . . 61.030000000000001 112.188 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.869 ' HA ' HG22 ' A' ' 55' ' ' VAL . 4.5 mp -74.2 96.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.119 0.485 . . . . 52.119999999999997 110.133 -177.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.749 ' HA ' ' HG2' ' A' ' 29' ' ' MET . 13.7 p -112.08 174.32 5.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.937 -0.574 . . . . 60.130000000000003 111.266 -175.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -78.88 121.09 24.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.887 0.375 . . . . 72.150000000000006 110.023 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.43 7.95 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.072 -0.585 . . . . 61.310000000000002 112.005 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.416 ' HA ' ' NH1' ' A' ' 56' ' ' ARG . 23.2 p -115.44 154.12 29.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.258 -0.275 . . . . 72.430000000000007 110.258 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -96.78 132.26 42.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.584 . . . . 53.219999999999999 109.728 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.651 HD12 HG23 ' A' ' 33' ' ' ILE . 63.3 mt -133.32 133.84 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.235 0.54 . . . . 73.129999999999995 110.508 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -102.27 122.13 43.61 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.93 -0.577 . . . . 70.299999999999997 109.576 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.4 mm -79.99 117.83 26.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.582 -0.525 . . . . 64.340000000000003 109.582 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -90.39 -47.79 7.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 111.439 -175.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -156.27 146.37 21.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 75.140000000000001 111.181 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.16 125.43 74.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.165 -0.68 . . . . 62.409999999999997 109.165 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.4 145.65 95.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.555 -0.293 . . . . 44.439999999999998 111.098 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.54 -28.86 88.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.026 2.484 . . . . 53.240000000000002 113.076 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.767 ' H ' HD21 ' A' ' 47' ' ' LEU . 1.7 pt? -91.87 -1.16 57.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.132 0.491 . . . . 72.420000000000002 110.691 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.31 -71.74 0.32 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 121.048 -0.596 . . . . 71.219999999999999 111.798 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.741 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 4.0 p-10 -117.73 163.63 23.29 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.172 -0.307 . . . . 72.530000000000001 110.172 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.741 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 1.5 Cg_endo -83.98 145.69 49.56 Favored 'Cis proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.881 -1.3 . . . . 61.210000000000001 112.917 0.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -93.96 125.29 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.265 -0.643 . . . . 72.129999999999995 109.265 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -81.27 111.23 17.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.808 -0.442 . . . . 63.039999999999999 109.808 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.11 152.0 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.295 -0.411 . . . . 72.510000000000005 111.14 -176.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.541 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 43.4 t-20 -122.43 110.25 15.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.39 -0.596 . . . . 71.319999999999993 109.39 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 33' ' ' ILE . 8.8 p -108.08 127.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.733 -0.667 . . . . 72.230000000000004 110.725 -175.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.453 ' HG2' HG23 ' A' ' 55' ' ' VAL . 28.1 mmt180 62.36 -84.86 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.288 -0.634 . . . . 72.430000000000007 109.288 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.94 34.56 1.02 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.457 -1.057 . . . . 75.349999999999994 110.457 172.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.42 ' HE2' HD22 ' A' ' 60' ' ' LEU . 2.9 t80 -131.52 129.22 40.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.831 -0.433 . . . . 73.510000000000005 109.831 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -105.71 119.27 38.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.396 0.617 . . . . 73.140000000000001 111.331 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 HD22 ' HE2' ' A' ' 58' ' ' TYR . 63.4 mt -132.25 171.42 13.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.356 -0.838 . . . . 73.109999999999999 110.859 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.8 m -98.64 126.73 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 70.450000000000003 109.788 171.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.4 tp -104.72 148.0 27.06 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.636 -0.505 . . . . 72.209999999999994 109.636 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.476 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -83.96 158.46 21.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.22 0.533 . . . . 71.239999999999995 111.168 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 85.8 tttt -62.7 -48.76 77.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.927 -1.033 . . . . 63.43 110.747 -178.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 69' ' ' MET . 12.0 p -65.6 -42.3 91.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 62.439999999999998 110.693 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.624 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -62.89 -41.75 99.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 43.43 110.58 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.4 68.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 73.340000000000003 111.958 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 14.1 pt-20 -98.06 -2.15 40.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.443 -0.503 . . . . 75.299999999999997 111.309 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 65' ' ' SER . 66.2 mtt -97.18 -9.55 27.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 52.409999999999997 110.155 174.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.624 HG13 ' O ' ' A' ' 66' ' ' ALA . 71.4 mt -91.23 121.84 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.138 -0.483 . . . . 65.400000000000006 111.075 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.665 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 3.7 tt0 -80.37 112.57 17.83 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.712 -0.847 . . . . 55.43 108.712 172.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 1.006 HG11 HD21 ' A' ' 4' ' ' LEU . 19.5 m -120.82 162.04 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.392 0.615 . . . . 73.420000000000002 112.062 -177.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.32 130.0 56.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.868 -1.06 . . . . 73.200000000000003 109.034 173.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.316 -0.877 0 N-CA-C 108.141 -1.059 . . . . 63.299999999999997 108.141 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.925 0.393 . . . . 74.310000000000002 110.441 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -109.38 112.97 25.39 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.762 -0.829 . . . . 74.010000000000005 108.762 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.409 ' HB2' ' HG3' ' A' ' 5' ' ' ARG . 1.9 m -105.3 176.15 5.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.984 -0.553 . . . . 64.430000000000007 110.38 -175.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.555 HD13 HG11 ' A' ' 72' ' ' VAL . 44.6 tp -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 63.439999999999998 110.188 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 7.0 ppt_? -79.57 -6.43 57.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 74.519999999999996 111.336 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -88.69 -5.97 57.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 64.319999999999993 110.376 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.11 151.1 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 72.340000000000003 110.462 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -98.9 149.53 22.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 65.439999999999998 109.995 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.44 ' HB3' HG21 ' A' ' 44' ' ' VAL . 1.5 p -69.69 110.65 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.295 0.569 . . . . 72.519999999999996 110.358 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.02 -9.69 6.68 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.387 -0.824 . . . . 51.219999999999999 111.279 -173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.672 ' HB3' HD22 ' A' ' 74' ' ' LEU . 97.2 mt-30 -101.01 165.71 11.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 54.039999999999999 110.824 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -118.05 121.02 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 72.310000000000002 110.449 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.45 HG21 ' HB ' ' A' ' 39' ' ' ILE . 27.9 m -116.97 164.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.041 0.448 . . . . 64.120000000000005 110.668 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -133.49 137.49 45.68 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.85 -0.614 . . . . 65.409999999999997 110.038 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.517 ' HA ' HG12 ' A' ' 72' ' ' VAL . 44.1 t -77.09 131.06 35.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.992 -0.549 . . . . 74.25 110.737 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.535 HG21 ' HG2' ' A' ' 71' ' ' GLU . 4.6 m -115.62 -58.13 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.391 -0.368 . . . . 74.409999999999997 110.992 176.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.526 ' H ' HG21 ' A' ' 16' ' ' VAL . 99.1 mttt -118.02 160.5 21.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 74.420000000000002 110.638 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -130.78 110.12 11.1 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.249 -0.648 . . . . 73.239999999999995 109.249 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.618 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 61.0 m-70 -86.83 163.65 17.1 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.003 -0.369 . . . . 64.530000000000001 110.003 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.51 178.0 15.45 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 72.450000000000003 112.59 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -81.27 31.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.212 0.449 . . . . 75.230000000000004 112.212 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.94 -61.36 4.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.896 -0.669 . . . . 74.519999999999996 112.636 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.37 -37.32 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 74.439999999999998 111.171 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 28' ' ' ILE . 59.4 tp -62.74 -43.51 98.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 63.32 110.085 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.2 -42.04 94.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.994 -0.548 . . . . 74.219999999999999 110.206 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -61.21 -42.57 98.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.556 -0.747 . . . . 75.340000000000003 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.11 -45.65 87.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 61.439999999999998 110.278 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.543 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 88.5 mt -58.56 -50.21 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 64.140000000000001 111.217 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 71.2 mtm -67.76 -30.62 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.019999999999996 111.665 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.75 -35.14 78.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 72.310000000000002 110.818 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.543 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 66.5 mtm -74.12 -17.68 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.943 -0.571 . . . . 53.130000000000003 111.353 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.21 -20.33 7.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.781 . . . . 64.109999999999999 112.321 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.427 ' HB ' ' CG2' ' A' ' 28' ' ' ILE . 21.9 mm -69.87 102.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.344 -0.613 . . . . 72.099999999999994 109.344 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.742 ' HG1' HH21 ' A' ' 56' ' ' ARG . 1.1 p -126.75 156.31 41.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.25 -0.432 . . . . 72.209999999999994 112.136 -170.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.4 106.4 2.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 73.329999999999998 110.397 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.27 -26.22 5.84 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.032 -0.604 . . . . 74.030000000000001 112.51 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 p -71.71 144.37 49.33 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.991 0.396 . . . . 71.030000000000001 110.283 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.33 141.33 28.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 71.510000000000005 109.919 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.604 HG12 HG23 ' A' ' 55' ' ' VAL . 54.2 mt -124.46 116.27 47.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 54.009999999999998 110.262 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -91.05 108.75 20.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.777 -0.823 . . . . 73.120000000000005 108.777 174.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' HA ' HG22 ' A' ' 53' ' ' ILE . 13.5 mm -68.53 113.51 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.591 -0.522 . . . . 64.400000000000006 109.591 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -88.99 -56.42 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.178 -0.465 . . . . 63.43 111.113 -171.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . 58.1 tptt -147.92 123.64 10.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.791 0.329 . . . . 73.109999999999999 111.041 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.44 HG21 ' HB3' ' A' ' 9' ' ' CYS . 58.5 t -108.97 121.19 61.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.518 -0.549 . . . . 75.450000000000003 109.518 175.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.27 145.55 98.63 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 73.049999999999997 110.728 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.013 2.475 . . . . 72.530000000000001 112.685 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.2 -10.96 59.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.283 0.563 . . . . 72.319999999999993 110.137 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.33 -19.25 55.11 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.492 -0.776 . . . . 74.310000000000002 111.393 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.89 ' HD2' HH11 ' A' ' 63' ' ' ARG . 31.7 t70 -144.63 141.74 18.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.424 -0.388 . . . . 62.340000000000003 110.119 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.444 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 85.7 Cg_endo -90.96 171.32 24.89 Favored 'Cis proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.508 -1.455 . . . . 62.310000000000002 112.718 -2.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.488 HG22 HG23 ' A' ' 53' ' ' ILE . 65.2 mt -107.7 117.39 53.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 72.540000000000006 110.568 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 43' ' ' LYS . 2.2 mp0 -84.34 121.49 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 109.962 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.488 HG23 HG22 ' A' ' 51' ' ' ILE . 24.4 pt -135.72 151.31 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.011 -0.54 . . . . 73.230000000000004 110.632 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 44.7 t-20 -110.53 112.1 23.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.374 -0.602 . . . . 73.049999999999997 109.374 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.775 HG12 ' HG2' ' A' ' 56' ' ' ARG . 43.1 t -129.98 130.99 66.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 75.430000000000007 110.223 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.775 ' HG2' HG12 ' A' ' 55' ' ' VAL . 28.3 mmt180 62.73 15.68 8.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.079 -0.509 . . . . 63.409999999999997 111.501 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.92 -7.01 60.48 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.934 -0.651 . . . . 73.140000000000001 112.202 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -101.14 128.39 47.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.675 -0.491 . . . . 75.349999999999994 109.675 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 32.4 tt0 -103.49 114.67 29.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.523 0.678 . . . . 72.319999999999993 109.304 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 pp -139.98 174.89 10.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.194 -0.912 . . . . 74.519999999999996 111.344 -171.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.7 m -107.92 124.05 49.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.802 -0.635 . . . . 74.25 109.966 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.4 tp -106.37 134.55 49.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.39 -0.596 . . . . 74.340000000000003 109.39 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.89 HH11 ' HD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -65.52 137.35 57.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.956 -0.565 . . . . 72.310000000000002 110.249 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.89 61.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 51.340000000000003 110.69 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -52.87 -46.16 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 62.149999999999999 110.661 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.51 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.09 -44.34 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 54.219999999999999 110.683 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.61 65.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.186 0.517 . . . . 75.310000000000002 111.63 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -79.24 -10.96 59.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.706 -0.679 . . . . 75.25 110.982 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.864 ' HA ' ' HE1' ' A' ' 69' ' ' MET . 0.4 OUTLIER -109.91 -19.25 13.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 71.109999999999999 110.901 -177.287 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 66' ' ' ALA . 74.5 mt -75.84 134.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 71.510000000000005 110.965 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.535 ' HG2' HG21 ' A' ' 16' ' ' VAL . 3.2 tt0 -99.22 112.86 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 74.540000000000006 110.072 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 4' ' ' LEU . 29.3 m -126.55 170.77 16.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.207 -0.451 . . . . 73.400000000000006 110.528 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.33 136.54 53.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.055 -0.52 . . . . 75.239999999999995 110.162 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 11' ' ' GLN . 1.2 tm? -80.24 92.98 5.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.298 -1.001 . . . . 73.340000000000003 108.298 174.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -77.26 110.99 12.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.186 0.517 . . . . 72.319999999999993 110.523 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -112.84 90.94 3.48 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.56 -0.746 . . . . 72.549999999999997 109.857 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -106.65 162.89 13.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.133 -0.691 . . . . 73.209999999999994 109.133 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -100.12 162.08 13.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.47 -0.492 . . . . 65.239999999999995 110.747 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -96.27 150.38 20.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.933 -0.576 . . . . 72.239999999999995 109.821 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.01 175.2 13.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.215 -0.291 . . . . 65.310000000000002 110.215 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 34.7 m80 . . . . . 0 C--O 1.243 0.761 0 CA-C-O 118.462 -0.78 . . . . 64.019999999999996 109.893 175.494 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.62 ' HE3' ' HB3' ' A' ' 3' ' ' SER . 23.4 ptm . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.619 0.247 . . . . 75.120000000000005 110.436 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -118.87 104.56 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.441 -0.577 . . . . 52.450000000000003 109.441 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.62 ' HB3' ' HE3' ' A' ' 1' ' ' MET . 85.0 p -97.07 173.87 7.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.324 -0.398 . . . . 60.119999999999997 110.277 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.596 HD13 HG11 ' A' ' 72' ' ' VAL . 23.9 tp -65.33 -19.07 65.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.392 0.615 . . . . 52.039999999999999 110.018 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -74.36 -23.87 59.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.161 -0.927 . . . . 62.329999999999998 111.31 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.32 -12.41 58.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.55 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.22 148.53 29.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.97 0.414 . . . . 62.240000000000002 110.91 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' OE1' ' A' ' 11' ' ' GLN . 35.3 mmtp -101.54 170.8 7.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 72.219999999999999 110.852 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.64 103.68 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.784 -0.644 . . . . 72.409999999999997 111.442 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.64 -24.48 6.44 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.819 -0.628 . . . . 72.430000000000007 112.123 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 10.4 mp0 -71.48 124.62 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.745 0.307 . . . . 70.519999999999996 110.591 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -99.19 110.48 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 72.349999999999994 110.287 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG12 HD13 ' A' ' 74' ' ' LEU . 33.2 m -113.38 170.47 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.07 -0.514 . . . . 65.310000000000002 110.379 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 5.7 tmmm? -130.6 128.36 40.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.8 -0.445 . . . . 75.299999999999997 109.8 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.686 HG21 HD11 ' A' ' 39' ' ' ILE . 78.7 t -70.49 127.8 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 71.140000000000001 110.844 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.17 -35.7 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 64.329999999999998 112.142 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 35.5 ttpt -141.45 148.84 40.17 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.883 0.373 . . . . 64.329999999999998 110.132 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -120.14 117.65 28.47 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.952 -0.388 . . . . 72.209999999999994 109.952 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -73.43 -31.39 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.872 -0.603 . . . . 55.140000000000001 111.137 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.608 ' HA3' ' HB3' ' A' ' 24' ' ' LEU . . . -56.22 123.23 30.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.873 -0.68 . . . . 75.109999999999999 111.86 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -70.8 85.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.596 . . . . 54.229999999999997 111.783 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.673 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . 72.16 -75.32 0.79 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.085 -0.961 . . . . 50.399999999999999 114.113 172.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.14 79.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 70.150000000000006 110.935 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.608 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . 1.7 tm? -68.63 -41.21 79.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.956 -0.566 . . . . 62.130000000000003 110.211 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.673 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -70.41 -27.68 64.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 41.109999999999999 110.939 -176.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -77.46 -36.34 52.99 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.503 -0.554 . . . . 63.130000000000003 109.503 177.109 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -58.04 -45.28 87.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.719 -0.673 . . . . 74.019999999999996 110.689 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 52.6 mt -57.95 -40.68 77.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.213 0.53 . . . . 65.340000000000003 110.378 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.07 -30.34 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 71.209999999999994 110.898 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.89 -31.46 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 71.230000000000004 111.574 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.481 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 4.4 mpp? -79.72 -12.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.971 -0.291 . . . . 72.530000000000001 111.033 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.61 4.65 28.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.484 -0.865 . . . . 72.510000000000005 112.895 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 33' ' ' ILE . 4.2 mp -104.92 114.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.928 -0.397 . . . . 54.119999999999997 109.928 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -139.17 170.05 16.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.805 0.336 . . . . 65.239999999999995 110.281 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -63.13 131.42 48.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.013 -0.54 . . . . 65.319999999999993 111.102 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.4 -17.36 47.27 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.712 -0.676 . . . . 65.299999999999997 112.351 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.0 m -88.41 154.34 20.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.37 . . . . 73.400000000000006 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.49 128.14 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.564 . . . . 63.219999999999999 110.516 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.686 HD11 HG21 ' A' ' 15' ' ' VAL . 4.5 mp -125.06 122.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 64.319999999999993 109.856 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 30.3 p90 -114.89 135.91 53.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.535 -0.543 . . . . 74.019999999999996 109.535 172.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 mm -75.74 138.39 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.94 -0.573 . . . . 75.099999999999994 110.751 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -87.77 -53.29 4.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.943 -0.571 . . . . 61.32 109.907 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.05 139.34 22.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 72.200000000000003 110.689 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.46 111.73 36.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.023 -0.732 . . . . 54.020000000000003 109.023 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 143.57 91.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.53 -0.305 . . . . 52.32 110.563 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.66 -9.16 23.42 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.843 2.362 . . . . 74.239999999999995 112.972 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.1 mt -87.46 -10.89 50.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 71.439999999999998 109.896 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.43 -30.19 9.54 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.261 -0.736 . . . . 73.120000000000005 111.261 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.578 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 2.2 p-10 -151.47 161.33 29.97 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 109.044 -0.725 . . . . 72.140000000000001 109.044 175.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.578 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 78.1 Cg_endo -78.41 159.46 92.32 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.417 -1.493 . . . . 64.409999999999997 113.138 -0.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -102.97 113.89 41.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.419 -0.809 . . . . 73.219999999999999 109.626 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -87.82 119.49 28.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.514 -0.55 . . . . 73.120000000000005 109.514 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.516 HD12 ' HB2' ' A' ' 60' ' ' LEU . 2.8 pp -121.12 155.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.594 0.235 . . . . 74.5 110.931 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -116.84 108.89 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.872 -0.418 . . . . 72.200000000000003 109.872 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.841 HG12 ' HG2' ' A' ' 56' ' ' ARG . 26.4 t -141.93 140.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.378 -0.601 . . . . 62.5 109.378 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.841 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.2 mmm180 65.29 17.01 10.84 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.328 0.392 . . . . 73.340000000000003 110.731 177.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 -2.92 87.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.975 -0.631 . . . . 44.009999999999998 112.267 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.548 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 96.2 m-85 -98.89 142.84 29.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.754 -0.263 . . . . 74.129999999999995 110.955 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.08 109.98 21.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.843 -0.799 . . . . 74.129999999999995 108.843 167.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.516 ' HB2' HD12 ' A' ' 53' ' ' ILE . 90.7 mt -114.69 132.32 56.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.073 0.463 . . . . 64.329999999999998 111.539 -172.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -84.58 106.5 16.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.323 -0.853 . . . . 72.530000000000001 109.17 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -105.93 134.66 48.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.925 0.393 . . . . 75.150000000000006 110.059 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HD3' ' H ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.093 -0.503 . . . . 65.040000000000006 109.832 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.671 ' HZ1' ' HE2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.87 -27.72 60.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 74.299999999999997 111.622 -178.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.46 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 5.6 m -58.55 -44.41 89.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 73.129999999999995 110.672 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.53 -37.78 59.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.169 -0.469 . . . . 74.310000000000002 110.618 176.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . -60.73 -30.83 70.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.057 -0.52 . . . . 50.409999999999997 111.539 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.671 ' HE2' ' HZ1' ' A' ' 64' ' ' LYS . 41.5 mt-10 -64.36 -34.09 77.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.183 0.516 . . . . 75.439999999999998 110.788 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.4 mtt -87.23 0.6 55.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 74.140000000000001 111.186 -174.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.526 HG22 HG13 ' A' ' 72' ' ' VAL . 59.8 mt -98.58 109.69 24.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.919 0.39 . . . . 74.310000000000002 110.647 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.8 tp10 -83.7 112.1 19.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.914 -0.773 . . . . 71.349999999999994 108.914 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.596 HG11 HD13 ' A' ' 4' ' ' LEU . 29.8 m -119.69 161.14 19.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.186 0.517 . . . . 74.519999999999996 111.24 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -123.2 133.62 54.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.341 -0.845 . . . . 72.420000000000002 109.263 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.499 HD12 ' H ' ' A' ' 75' ' ' GLU . 20.9 tp -102.97 141.21 36.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.461 -0.336 . . . . 51.329999999999998 110.395 -175.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' H ' HD12 ' A' ' 74' ' ' LEU . 10.1 tp10 -60.82 130.71 47.85 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.938 -0.574 . . . . 72.129999999999995 110.698 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 37.6 m80 59.08 74.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.914 0.759 . . . . 63.020000000000003 110.8 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -108.66 154.87 21.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.084 -0.962 . . . . 74.140000000000001 110.299 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 64.65 21.86 12.49 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.735 0.647 . . . . 73.329999999999998 109.56 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -84.15 92.43 7.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.376 -0.829 . . . . 75.25 110.614 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -103.1 89.18 3.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.467 -0.568 . . . . 73.109999999999999 109.467 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.248 -0.882 . . . . 73.010000000000005 109.599 -179.748 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HE3' ' HB3' ' A' ' 3' ' ' SER . 23.1 ttt . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.688 0.28 . . . . 54.240000000000002 110.425 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.748 ' H ' ' HE2' ' A' ' 71' ' ' GLU . 25.8 t80 -98.89 92.61 5.61 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.597 -0.89 . . . . 62.43 108.597 176.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.563 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 27.2 p -86.73 159.45 19.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.072 -0.513 . . . . 72.340000000000003 111.197 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.599 ' CD1' HG22 ' A' ' 13' ' ' VAL . 52.5 tp -63.61 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.725 -0.67 . . . . 74.010000000000005 110.62 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.553 ' HG2' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -71.23 -33.38 69.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.709 -0.678 . . . . 74.310000000000002 110.073 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.97 -30.82 70.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.124 -0.489 . . . . 74.340000000000003 111.464 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 159.57 30.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.783 0.325 . . . . 61.25 110.802 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -108.24 -178.67 3.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.77 0.319 . . . . 73.329999999999998 110.615 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.4 m -68.77 144.43 54.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 53.140000000000001 110.956 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . 87.52 2.11 82.68 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.961 -0.637 . . . . 62.539999999999999 113.081 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.26 149.69 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.175 0.512 . . . . 74.319999999999993 110.988 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.4 m -103.93 114.65 29.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.423 -0.808 . . . . 54.409999999999997 110.455 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.599 HG22 ' CD1' ' A' ' 4' ' ' LEU . 29.5 m -114.93 134.59 57.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 70.140000000000001 111.212 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -94.87 134.66 37.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.188 -0.46 . . . . 72.329999999999998 110.165 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.693 HG22 HG23 ' A' ' 33' ' ' ILE . 24.3 t -77.77 114.59 18.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 75.019999999999996 110.53 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 m -115.01 -47.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.283 0.475 . . . . 65.120000000000005 112.283 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.845 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 94.9 mttt -133.01 151.75 52.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 74.239999999999995 111.198 -176.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -127.37 107.83 10.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.614 -0.721 . . . . 72.030000000000001 109.649 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -87.2 -3.84 59.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 73.400000000000006 111.022 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.14 166.36 52.57 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.919 -0.582 . . . . 70.219999999999999 112.982 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.5 p -76.54 176.24 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.226 0.21 . . . . 55.0 110.829 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.33 94.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.226 -0.511 . . . . 74.530000000000001 113.372 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 72.340000000000003 111.093 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' O ' HG13 ' A' ' 28' ' ' ILE . 4.6 mm? -64.51 -49.2 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 53.020000000000003 110.452 178.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 21' ' ' THR . 14.0 ttmt -53.99 -49.84 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 73.430000000000007 111.109 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -56.41 -47.34 79.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 72.219999999999999 111.357 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' A' ' 31' ' ' MET . 59.6 ttt180 -66.65 -41.53 88.07 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 41.200000000000003 110.371 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.505 ' HA ' ' HE1' ' A' ' 31' ' ' MET . 73.3 mt -61.98 -41.59 91.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.512 0.672 . . . . 71.409999999999997 110.291 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.1 mtm -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 73.109999999999999 111.104 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.18 -29.29 70.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 75.420000000000002 110.487 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 34.2 mtt -72.65 -14.65 61.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 71.010000000000005 110.805 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.17 3.0 38.83 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.423 -0.671 . . . . 53.240000000000002 111.423 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.693 HG23 HG22 ' A' ' 15' ' ' VAL . 57.3 mt -94.16 91.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.376 -0.602 . . . . 71.129999999999995 109.376 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -121.66 -57.46 1.81 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 73.129999999999995 112.278 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -175.35 137.74 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.253 -0.885 . . . . 73.510000000000005 110.1 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.55 -28.79 2.68 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.025 -0.607 . . . . 60.200000000000003 113.398 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 74.420000000000002 110.466 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 130.18 53.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.743 -0.662 . . . . 73.040000000000006 109.853 175.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.455 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 66.5 mt -109.03 123.81 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 115.353 -0.839 . . . . 71.129999999999995 110.493 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.448 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 71.0 t80 -86.99 108.8 19.0 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.231 -0.895 . . . . 74.349999999999994 109.819 172.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.48 110.61 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.201 -0.666 . . . . 64.0 109.201 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -51.74 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.010000000000005 110.572 -172.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -159.01 123.01 3.91 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.403 -0.519 . . . . 70.209999999999994 111.336 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.819 HG13 HG12 ' A' ' 51' ' ' ILE . 42.4 t -97.31 130.06 46.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.886 -0.597 . . . . 75.510000000000005 109.491 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.74 144.19 90.59 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.463 -0.335 . . . . 55.210000000000001 110.291 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.91 -19.85 69.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.675 2.25 . . . . 74.430000000000007 112.043 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.01 -25.1 62.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.361 0.6 . . . . 74.219999999999999 110.039 175.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . 95.13 -15.07 64.13 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.246 -0.888 . . . . 53.350000000000001 111.693 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.845 ' HD2' HH21 ' A' ' 63' ' ' ARG . 26.3 t70 -144.61 125.55 7.68 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.527 -0.336 . . . . 64.510000000000005 110.149 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 89.6 Cg_endo -94.61 -174.7 5.19 Favored 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.398 -1.501 . . . . 72.319999999999993 112.643 -4.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.819 HG12 HG13 ' A' ' 44' ' ' VAL . 64.4 mt -112.23 135.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.696 -0.684 . . . . 72.109999999999999 110.013 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -96.87 113.94 25.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 75.5 110.226 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.455 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 27.9 pt -119.77 136.92 55.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.462 -0.336 . . . . 63.439999999999998 110.296 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -93.72 109.33 21.0 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.481 -0.488 . . . . 72.0 110.62 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.933 HG12 ' HG2' ' A' ' 56' ' ' ARG . 62.5 t -131.85 137.8 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.468 -0.787 . . . . 63.009999999999998 108.992 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.933 ' HG2' HG12 ' A' ' 55' ' ' VAL . 10.0 mmt180 63.96 21.08 12.49 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.364 0.415 . . . . 65.519999999999996 110.689 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.27 17.15 72.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.985 -0.626 . . . . 44.450000000000003 112.477 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -137.04 137.95 39.92 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.866 -0.42 . . . . 75.299999999999997 109.866 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.77 110.6 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.504 0.669 . . . . 75.239999999999995 110.419 176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 31' ' ' MET . 55.8 mt -95.14 137.03 34.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.082 -0.963 . . . . 72.140000000000001 110.052 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.6 m -85.69 105.65 16.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.025 0.44 . . . . 64.209999999999994 110.46 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD21 HD21 ' A' ' 4' ' ' LEU . 30.5 tp -106.49 125.59 51.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.0 -0.546 . . . . 64.010000000000005 109.528 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.845 HH21 ' HD2' ' A' ' 49' ' ' ASP . 22.3 mtp180 -72.44 156.27 39.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.281 -0.418 . . . . 62.219999999999999 111.239 -176.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -60.41 -25.89 66.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.954 -0.566 . . . . 75.329999999999998 111.577 -177.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.488 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 13.0 m -59.55 -48.83 80.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 72.209999999999994 110.394 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.45 -38.45 55.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.903 -0.589 . . . . 72.450000000000003 110.818 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.23 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 35.140000000000001 111.691 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.457 ' OE1' ' HA ' ' A' ' 68' ' ' GLU . 5.0 mm-40 -85.41 3.57 39.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.457 -0.338 . . . . 70.109999999999999 111.239 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.5 tpp -113.96 -16.99 12.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.168 0.509 . . . . 74.420000000000002 111.045 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.563 ' O ' ' HA ' ' A' ' 3' ' ' SER . 70.5 mt -87.32 134.93 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 71.200000000000003 110.994 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.845 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 7.7 tp10 -98.09 115.38 28.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.981 -0.748 . . . . 73.230000000000004 108.981 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.503 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 20.5 m -122.71 178.55 3.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.048 0.451 . . . . 73.340000000000003 111.074 -177.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -136.79 130.71 32.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.619 -0.718 . . . . 74.340000000000003 109.928 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.53 HD23 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -70.74 107.77 4.12 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.052 -1.092 . . . . 75.310000000000002 108.052 173.624 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.23 109.36 0.59 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.458 0.647 . . . . 70.010000000000005 111.279 -172.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -72.1 117.3 13.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.927 -1.033 . . . . 72.439999999999998 112.055 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -125.62 124.8 41.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.584 -0.895 . . . . 70.239999999999995 108.584 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.3 t60 59.9 33.31 21.52 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.203 0.525 . . . . 75.340000000000003 109.679 -177.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.0 m80 69.96 -70.5 0.14 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.382 -0.826 . . . . 72.230000000000004 110.506 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.3 t60 179.96 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.514 -0.921 . . . . 74.409999999999997 108.514 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.126 -0.94 . . . . 61.530000000000001 109.602 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.811 -0.44 . . . . 63.310000000000002 109.811 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -85.08 102.94 13.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.27 0.557 . . . . 73.409999999999997 109.605 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -92.58 156.91 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.621 -0.718 . . . . 74.450000000000003 110.26 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.637 HD13 HG22 ' A' ' 13' ' ' VAL . 38.6 tp -61.97 -29.55 70.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.134 0.492 . . . . 72.239999999999995 110.317 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' HD3' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -62.77 -29.28 70.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 73.049999999999997 110.494 175.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -91.33 -3.31 56.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.731 -0.668 . . . . 75.129999999999995 110.562 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 160.28 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 32.420000000000002 110.556 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' HB2' ' NE2' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -114.18 154.15 28.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.335 -0.393 . . . . 74.239999999999995 110.39 -178.037 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 p -64.44 153.41 38.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.577 . . . . 72.239999999999995 111.34 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.53 -4.73 82.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.041 -0.599 . . . . 64.310000000000002 112.671 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.516 ' NE2' ' HB2' ' A' ' 8' ' ' LYS . 48.2 mt-30 -114.6 165.44 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.874 0.368 . . . . 65.319999999999993 110.922 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.886 -0.597 . . . . 70.010000000000005 110.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.637 HG22 HD13 ' A' ' 4' ' ' LEU . 35.0 m -124.49 158.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.799 0.333 . . . . 62.25 111.097 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -112.17 122.6 48.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.949 -0.569 . . . . 74.040000000000006 109.546 174.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.874 HG22 HG23 ' A' ' 33' ' ' ILE . 43.3 t -72.34 121.92 23.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.773 -0.194 . . . . 62.439999999999998 110.668 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.41 HG21 ' HG2' ' A' ' 71' ' ' GLU . 4.1 m -113.07 -40.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 112.262 0.467 . . . . 64.200000000000003 112.262 -178.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 30.4 mtmt -134.17 127.0 31.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.287 0.565 . . . . 71.450000000000003 112.004 -178.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.43 103.77 15.15 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.515 -0.766 . . . . 52.210000000000001 109.116 175.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -76.61 -5.28 47.09 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.716 0.293 . . . . 73.5 110.721 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -65.62 123.51 25.0 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.947 -0.644 . . . . 71.310000000000002 111.535 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 p -77.39 88.85 3.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.499 0.555 . . . . 73.230000000000004 112.499 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 25' ' ' LYS . . . 67.85 -84.18 0.16 Allowed Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.489 -0.778 . . . . 41.310000000000002 114.037 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.251 0.548 . . . . 72.299999999999997 110.527 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.98 -46.84 67.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.431 -0.804 . . . . 71.239999999999995 110.758 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 20' ' ' GLY . 18.9 ptmt -67.73 -33.0 74.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.49 -0.323 . . . . 62.450000000000003 110.853 -174.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.926 ' HG3' ' HE1' ' A' ' 29' ' ' MET . 79.9 ttt180 -67.94 -45.19 74.98 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.555 -0.458 . . . . 74.340000000000003 110.633 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.42 -44.32 84.53 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 74.200000000000003 110.363 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.676 HG22 ' HB ' ' A' ' 33' ' ' ILE . 85.0 mt -61.69 -49.61 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.574 -0.739 . . . . 72.439999999999998 111.193 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.926 ' HE1' ' HG3' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -74.72 -30.0 61.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 73.25 111.66 -176.185 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.74 -33.61 73.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.036 0.446 . . . . 72.439999999999998 110.822 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.459 ' HE2' HD11 ' A' ' 62' ' ' LEU . 70.2 mtm -74.32 -22.75 59.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 74.140000000000001 111.194 176.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.86 -10.2 3.66 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.425 -0.893 . . . . 60.109999999999999 113.122 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.874 HG23 HG22 ' A' ' 15' ' ' VAL . 53.8 mt -86.51 77.58 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.274 0.559 . . . . 74.120000000000005 110.205 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.663 HG23 ' HB2' ' A' ' 29' ' ' MET . 17.6 p -102.66 22.89 12.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.523 0.935 . . . . 74.239999999999995 113.523 -169.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 34' ' ' THR . 52.6 ttp180 68.32 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.227 0.537 . . . . 74.049999999999997 110.351 -176.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.1 -12.63 68.55 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.818 -0.913 . . . . 55.310000000000002 110.818 -172.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -79.18 147.48 32.63 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.454 -0.573 . . . . 74.340000000000003 109.454 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.05 140.41 36.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.002 0.43 . . . . 74.030000000000001 110.112 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.701 HG12 HG23 ' A' ' 55' ' ' VAL . 51.2 mt -127.43 122.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.53 . . . . 62.229999999999997 110.627 -176.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' HD1' ' HD2' ' A' ' 42' ' ' ARG . 51.8 t80 -94.45 115.96 28.23 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.995 -0.742 . . . . 72.019999999999996 108.995 173.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.58 ' H ' HD13 ' A' ' 41' ' ' ILE . 4.1 mp -74.77 115.85 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.687 -0.486 . . . . 74.200000000000003 109.687 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.726 ' HD3' ' HB2' ' A' ' 54' ' ' ASN . 29.4 mmm180 -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 74.099999999999994 111.102 -173.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 1.9 tmtp? -156.01 133.05 10.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 72.510000000000005 110.17 -174.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.454 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 43.8 t -102.84 110.87 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.54 -0.541 . . . . 73.150000000000006 109.54 175.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -57.08 145.9 63.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 61.409999999999997 111.311 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 50.7 Cg_exo -54.12 -38.25 87.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.209 2.606 . . . . 75.439999999999998 113.123 -177.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' O ' HD13 ' A' ' 47' ' ' LEU . 3.1 tm? -74.58 -27.34 60.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.163 0.506 . . . . 71.010000000000005 110.037 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.81 -7.31 41.7 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.765 -0.731 . . . . 75.409999999999997 111.499 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 13.9 t70 -139.99 125.97 11.88 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.966 -0.383 . . . . 72.310000000000002 109.966 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 83.5 Cg_endo -95.87 177.48 9.59 Favored 'Cis proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.713 -1.37 . . . . 54.350000000000001 112.338 -4.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 51' ' ' ILE . 4.2 mp -99.59 127.1 52.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 74.120000000000005 109.516 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.24 120.88 28.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.609 -0.515 . . . . 65.040000000000006 109.609 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.574 HD12 HD21 ' A' ' 62' ' ' LEU . 41.2 pt -132.34 153.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.564 -0.289 . . . . 73.209999999999994 110.819 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.726 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 46.5 t-20 -107.0 111.18 23.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.651 -0.5 . . . . 74.430000000000007 109.651 176.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.701 HG23 HG12 ' A' ' 39' ' ' ILE . 94.5 t -127.24 124.84 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 63.439999999999998 109.782 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.648 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmm180 65.89 18.59 11.14 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.447 0.467 . . . . 74.349999999999994 111.278 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.81 -6.02 76.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.991 -0.623 . . . . 54.219999999999999 111.928 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.48 130.78 44.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.675 0.274 . . . . 73.329999999999998 110.566 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -75.22 110.71 9.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.742 -0.836 . . . . 64.439999999999998 108.742 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -114.87 161.22 18.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.044 0.45 . . . . 73.420000000000002 110.874 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -127.52 114.33 17.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.786 -0.643 . . . . 70.519999999999996 110.307 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.574 HD21 HD12 ' A' ' 53' ' ' ILE . 3.6 mm? -106.18 137.15 44.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.31 -0.405 . . . . 63.399999999999999 110.309 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 63' ' ' ARG . 2.2 mpt_? -68.66 155.98 39.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.312 -0.403 . . . . 74.120000000000005 111.001 -178.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG3' ' HD3' ' A' ' 5' ' ' ARG . 80.5 tttt -56.88 -46.71 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.449 -0.796 . . . . 75.439999999999998 110.959 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 m -63.65 -33.57 75.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.661 -0.699 . . . . 51.219999999999999 111.328 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.95 -43.29 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 70.129999999999995 111.012 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.75 -23.39 65.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.252 -0.431 . . . . 70.230000000000004 111.813 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -84.58 -6.6 59.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 72.430000000000007 110.714 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 91.4 mtp -102.84 0.6 32.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 71.450000000000003 110.185 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.5 HG22 HG13 ' A' ' 72' ' ' VAL . 68.9 mt -99.69 114.21 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.747 -0.661 . . . . 74.439999999999998 110.214 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.6 tt0 -91.78 120.53 32.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.687 -0.688 . . . . 74.230000000000004 109.581 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -131.38 160.8 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.252 0.548 . . . . 71.420000000000002 111.868 -174.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.24 132.73 46.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.116 -0.947 . . . . 71.409999999999997 109.323 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.552 HD12 ' HB2' ' A' ' 76' ' ' HIS . 0.4 OUTLIER -76.7 104.99 7.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.217 -1.031 . . . . 75.129999999999995 108.217 174.746 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -76.89 51.8 0.81 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.244 0.545 . . . . 71.349999999999994 111.316 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.552 ' HB2' HD12 ' A' ' 74' ' ' LEU . 78.8 t60 -81.78 121.45 26.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.067 -0.716 . . . . 72.230000000000004 109.067 175.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -67.86 115.86 7.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.027 0.441 . . . . 72.299999999999997 110.078 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -135.62 86.65 2.25 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.756 -0.656 . . . . 52.219999999999999 109.634 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -96.85 121.22 38.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.695 -0.684 . . . . 73.150000000000006 110.178 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -144.33 -58.81 0.38 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.184 -0.462 . . . . 73.430000000000007 109.819 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.7 t60 . . . . . 0 C--O 1.246 0.918 0 N-CA-C 109.166 -0.679 . . . . 73.150000000000006 109.166 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HB2' ' HE2' ' A' ' 71' ' ' GLU . 5.0 ppp? . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.275 -0.268 . . . . 65.109999999999999 110.275 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.486 ' H ' ' HE2' ' A' ' 71' ' ' GLU . 37.9 t80 -110.66 111.26 22.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.634 -0.506 . . . . 61.210000000000001 109.634 -177.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 5.6 m -85.78 154.71 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.307 -0.406 . . . . 61.420000000000002 111.026 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.623 HD13 HG11 ' A' ' 72' ' ' VAL . 56.7 tp -61.34 -29.8 70.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 73.120000000000005 111.482 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.695 ' HE ' ' HE2' ' A' ' 68' ' ' GLU . 4.6 ppt_? -68.88 -6.39 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.602 0.593 . . . . 73.409999999999997 112.602 -177.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -90.15 -11.78 40.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.124 0.488 . . . . 73.25 110.797 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 157.54 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.005 -0.543 . . . . 64.230000000000004 110.113 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HB2' HE21 ' A' ' 11' ' ' GLN . 1.5 mptm? -115.79 176.34 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.896 0.379 . . . . 62.219999999999999 111.101 -176.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.545 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.6 p -66.28 140.17 58.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 73.439999999999998 112.214 -175.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 9.33 84.55 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.526 -0.761 . . . . 61.420000000000002 112.823 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.445 HE21 ' HB2' ' A' ' 8' ' ' LYS . 48.7 mt-30 -109.56 146.15 35.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.612 0.244 . . . . 72.129999999999995 110.369 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -102.45 121.67 42.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.222 -0.445 . . . . 73.400000000000006 110.607 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG12 HD13 ' A' ' 74' ' ' LEU . 35.7 m -119.35 151.27 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.375 -0.375 . . . . 73.219999999999999 110.523 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.59 ' HZ1' ' HE2' ' A' ' 75' ' ' GLU . 20.0 mtmt -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.992 0.425 . . . . 73.409999999999997 110.849 175.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.665 HG22 HG23 ' A' ' 33' ' ' ILE . 60.4 t -81.03 114.68 22.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.283 -0.871 . . . . 44.020000000000003 109.614 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -107.39 -39.9 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.674 -0.41 . . . . 73.5 112.062 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 2.8 tppp? -137.01 133.23 35.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 53.509999999999998 110.79 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.557 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 87.8 mt -108.45 118.6 37.19 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.254 -0.43 . . . . 71.519999999999996 109.849 176.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.827 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 62.7 m-70 -99.73 175.77 5.69 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 71.200000000000003 108.932 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.591 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 119.43 157.19 10.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 74.329999999999998 111.813 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -85.34 79.56 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.009 0.404 . . . . 65.299999999999997 111.736 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.44 -75.7 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 CA-C-N 115.65 -0.705 . . . . 44.149999999999999 114.85 171.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.42 84.92 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.654 0.382 . . . . 70.230000000000004 111.512 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 28' ' ' ILE . 55.2 tp -58.07 -45.82 86.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.340000000000003 110.168 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -57.81 -45.61 85.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 75.420000000000002 111.312 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -62.0 -43.65 98.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.014 0.435 . . . . 73.140000000000001 110.249 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.64 -40.23 96.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 74.430000000000007 110.614 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.594 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 92.6 mt -66.73 -49.58 73.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 74.450000000000003 110.841 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.482 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 73.7 mtm -66.39 -33.52 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 71.439999999999998 111.274 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.5 -36.65 78.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 74.420000000000002 111.474 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.594 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 67.7 mtm -72.82 -24.46 60.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 71.129999999999995 110.978 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.53 -20.26 4.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.78 . . . . 60.409999999999997 112.286 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.665 HG23 HG22 ' A' ' 15' ' ' VAL . 55.8 mt -67.25 110.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 71.230000000000004 110.449 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -134.82 165.29 25.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 72.0 111.308 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -67.97 114.15 6.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.463 . . . . 64.219999999999999 110.776 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.07 -1.73 44.23 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.758 -0.655 . . . . 71.099999999999994 113.015 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.4 p -86.15 140.43 30.2 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.38 0.59 . . . . 63.119999999999997 109.755 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -101.43 124.51 47.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.358 0.599 . . . . 71.239999999999995 110.122 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.51 HG12 HG23 ' A' ' 55' ' ' VAL . 58.4 mt -121.48 124.66 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.21 -0.904 . . . . 71.439999999999998 109.624 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 23.9 p90 -96.69 131.0 43.82 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.752 -0.833 . . . . 73.420000000000002 108.752 171.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.3 mt -79.99 126.33 39.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.231 -0.441 . . . . 73.409999999999997 109.952 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -76.01 -51.47 12.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 65.510000000000005 109.747 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 70.3 mttt -154.45 135.96 14.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 44.509999999999998 111.457 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 51' ' ' ILE . 50.5 t -111.75 117.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.114 -0.699 . . . . 51.350000000000001 109.114 172.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.69 143.61 92.74 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.098 -0.334 . . . . 64.230000000000004 110.098 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.9 Cg_exo -63.51 -11.52 26.42 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.169 2.579 . . . . 60.350000000000001 112.409 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -81.42 -10.41 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.665 -0.698 . . . . 65.450000000000003 110.22 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 -12.74 68.7 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.342 -0.703 . . . . 54.219999999999999 111.342 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.79 150.19 15.35 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.435 -0.58 . . . . 70.510000000000005 109.435 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -83.88 157.56 70.85 Favored 'Cis proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 -1.653 . . . . 71.120000000000005 112.216 -4.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.441 HG23 HG23 ' A' ' 44' ' ' VAL . 64.5 mt -102.48 118.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.844 -0.616 . . . . 52.530000000000001 109.53 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -91.0 113.82 26.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.836 -0.62 . . . . 73.120000000000005 109.848 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 60' ' ' LEU . 35.3 pt -120.59 161.87 19.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.545 0.212 . . . . 71.120000000000005 110.669 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -126.6 114.88 18.66 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.924 0.392 . . . . 54.100000000000001 110.314 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.51 HG23 HG12 ' A' ' 39' ' ' ILE . 18.7 t -126.04 140.93 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 72.239999999999995 109.341 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HG2' HG12 ' A' ' 55' ' ' VAL . 31.2 mmt180 66.77 -73.81 0.07 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.912 0.757 . . . . 63.219999999999999 110.006 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.96 23.0 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.112 -1.195 . . . . 40.009999999999998 110.112 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -127.34 142.91 51.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 73.0 109.598 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -89.23 110.83 21.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 75.439999999999998 110.095 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 31' ' ' MET . 87.2 mt -99.47 129.77 45.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.11 -0.495 . . . . 73.5 110.792 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -93.26 106.47 18.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 74.040000000000006 109.803 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.553 HD13 ' HE2' ' A' ' 31' ' ' MET . 30.7 tp -108.77 149.84 28.47 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.518 -0.549 . . . . 73.319999999999993 109.518 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.74 167.89 9.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.481 -0.488 . . . . 75.010000000000005 110.958 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -58.25 -29.57 65.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.415 -0.812 . . . . 72.230000000000004 111.755 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -53.59 -52.81 58.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 42.140000000000001 111.199 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.551 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -76.33 -38.79 55.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 61.119999999999997 111.204 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.62 66.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.517 -0.311 . . . . 74.519999999999996 111.772 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.695 ' HE2' ' HE ' ' A' ' 5' ' ' ARG . 8.5 mm-40 -82.97 -10.84 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.305 -0.407 . . . . 75.340000000000003 111.539 177.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.938 ' HA ' ' HE1' ' A' ' 69' ' ' MET . 1.1 tpt -118.35 -2.0 11.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.947 0.403 . . . . 65.030000000000001 111.213 -174.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 66' ' ' ALA . 73.4 mt -92.84 128.43 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.385 -0.37 . . . . 73.109999999999999 110.41 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.487 ' HE2' ' HB2' ' A' ' 1' ' ' MET . 4.2 tp10 -93.48 116.45 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.72 -0.673 . . . . 34.130000000000003 109.681 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.623 HG11 HD13 ' A' ' 4' ' ' LEU . 30.8 m -131.13 165.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.949 0.404 . . . . 71.329999999999998 112.041 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -133.55 150.73 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.601 -0.727 . . . . 74.25 109.463 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.506 HD13 HG12 ' A' ' 13' ' ' VAL . 4.5 mm? -84.62 133.06 34.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 71.150000000000006 111.317 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.59 ' HE2' ' HZ1' ' A' ' 14' ' ' LYS . 12.4 mm-40 -79.21 154.29 29.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.756 -0.461 . . . . 71.129999999999995 109.756 172.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 66.71 23.85 10.11 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.458 0.647 . . . . 75.140000000000001 110.656 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 16.3 p80 -79.09 148.11 32.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.852 -0.796 . . . . 74.409999999999997 108.852 173.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 65.5 t60 74.65 143.55 0.07 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.088 0.867 . . . . 72.439999999999998 110.254 -176.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -68.79 88.35 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 71.099999999999994 111.402 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 141.89 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.553 1.141 . . . . 73.409999999999997 112.76 176.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.673 -0.679 . . . . 74.530000000000001 109.808 179.21 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.862 ' HG3' ' HE2' ' A' ' 71' ' ' GLU . 26.8 ttt . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.066 0.46 . . . . 64.040000000000006 110.333 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -130.25 106.18 8.41 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.822 -0.807 . . . . 72.25 108.822 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 99.2 p -84.63 166.21 17.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.394 -0.367 . . . . 63.119999999999997 110.315 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.505 HD22 HG21 ' A' ' 39' ' ' ILE . 17.2 tp -69.44 -16.27 63.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.414 0.626 . . . . 63.130000000000003 109.513 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -39.33 68.79 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.265 -0.879 . . . . 71.230000000000004 108.988 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.64 -22.1 64.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.821 -0.627 . . . . 74.430000000000007 111.146 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 155.73 36.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 70.230000000000004 110.86 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -111.32 160.36 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.2 -0.454 . . . . 61.549999999999997 110.054 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 p -73.91 140.8 45.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.934 0.397 . . . . 62.450000000000003 110.496 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.38 1.96 71.18 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.396 -0.682 . . . . 41.420000000000002 111.396 -177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -104.56 152.02 22.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.369 . . . . 65.430000000000007 110.53 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.58 ' O ' ' HB2' ' A' ' 75' ' ' GLU . 36.3 m -111.44 129.77 55.92 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.984 -0.746 . . . . 44.43 108.984 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.01 172.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.596 0.236 . . . . 63.020000000000003 110.565 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' HD3' ' HG2' ' A' ' 75' ' ' GLU . 14.0 mtpt -130.3 131.69 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.346 -0.388 . . . . 55.439999999999998 110.702 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.6 115.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 75.299999999999997 110.087 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -107.84 -38.86 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.275 -0.42 . . . . 72.209999999999994 111.602 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 56.6 mtpt -133.31 156.68 47.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.068 0.461 . . . . 72.540000000000006 110.308 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.18 116.26 19.65 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.987 -0.551 . . . . 70.409999999999997 109.835 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -86.83 154.48 20.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.176 -0.465 . . . . 55.229999999999997 109.747 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 175.81 14.2 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.784 -0.722 . . . . 73.129999999999995 111.741 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.5 p -79.12 -63.57 1.39 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.699 0.285 . . . . 74.209999999999994 111.503 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.81 -57.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.597 -0.811 . . . . 24.010000000000002 112.683 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.647 0.26 . . . . 52.049999999999997 111.11 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.44 -41.22 76.09 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.038 -0.528 . . . . 72.239999999999995 110.443 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -66.26 -49.26 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.176 -0.466 . . . . 62.32 111.168 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.6 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -63.08 -32.43 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.839 -0.43 . . . . 65.340000000000003 109.839 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.36 -42.15 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 75.439999999999998 110.464 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.735 HG22 ' HB ' ' A' ' 33' ' ' ILE . 60.6 mt -70.77 -41.55 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 74.010000000000005 110.548 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.497 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 87.6 mtp -63.42 -31.54 72.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 63.340000000000003 111.11 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.35 -32.6 68.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.818 -0.628 . . . . 75.319999999999993 111.324 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.68 ' HE2' HD22 ' A' ' 62' ' ' LEU . 62.8 mtm -84.52 -0.06 51.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.756 -0.656 . . . . 72.299999999999997 111.067 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.3 -3.31 50.85 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.945 -0.645 . . . . 42.310000000000002 112.563 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.735 ' HB ' HG22 ' A' ' 28' ' ' ILE . 40.3 mt -88.3 106.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 53.240000000000002 110.477 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -147.45 178.83 8.12 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 74.129999999999995 109.622 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.2 130.16 44.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 73.549999999999997 110.451 -177.614 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.63 -4.98 69.7 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.972 -0.632 . . . . 70.129999999999995 112.498 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.09 140.13 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 74.230000000000004 110.335 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -92.55 126.4 37.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.474 -0.784 . . . . 74.439999999999998 109.558 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.505 HG21 HD22 ' A' ' 4' ' ' LEU . 35.8 mm -112.02 117.42 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.99 -0.55 . . . . 44.439999999999998 110.267 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -95.23 105.82 17.79 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.937 -0.574 . . . . 65.5 109.896 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 41' ' ' ILE . 4.1 mp -75.84 107.77 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.836 -0.801 . . . . 74.019999999999996 108.836 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.767 HH21 ' HE2' ' A' ' 59' ' ' GLU . 3.2 tmm_? -86.38 -40.87 14.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.37 -0.377 . . . . 73.439999999999998 110.642 -172.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 4.6 tmtt? -156.84 137.83 13.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.772 0.32 . . . . 73.329999999999998 110.64 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 46.3 t -114.11 130.28 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.047 -0.723 . . . . 73.409999999999997 109.047 173.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.3 143.26 98.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.735 -0.386 . . . . 71.329999999999998 110.341 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.26 -29.63 88.34 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.974 2.449 . . . . 74.239999999999995 112.456 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.8 tp -85.86 -4.81 59.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.848 -0.615 . . . . 70.439999999999998 110.661 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.73 -24.68 31.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.989 -0.624 . . . . 65.140000000000001 112.509 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.834 ' HD2' HH21 ' A' ' 63' ' ' ARG . 8.5 t70 -134.59 133.71 21.64 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.959 -0.385 . . . . 75.140000000000001 109.959 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -94.4 -172.79 4.16 Favored 'Cis proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.699 -1.376 . . . . 72.409999999999997 112.784 -2.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -116.08 128.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.001 -0.545 . . . . 63.310000000000002 110.007 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -94.45 110.2 22.01 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.172 0.511 . . . . 75.5 110.703 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.1 pt -120.97 144.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.732 -0.667 . . . . 73.219999999999999 110.215 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -104.36 113.04 26.33 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.959 -0.386 . . . . 73.329999999999998 109.959 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.631 HG12 ' HG3' ' A' ' 56' ' ' ARG . 60.6 t -124.09 119.16 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 73.150000000000006 110.368 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.631 ' HG3' HG12 ' A' ' 55' ' ' VAL . 71.1 mtt180 62.0 27.33 16.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.476 0.485 . . . . 53.350000000000001 111.065 176.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.38 -16.72 59.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.08 -0.581 . . . . 61.049999999999997 112.32 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 129.98 37.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.665 0.269 . . . . 75.439999999999998 110.297 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.767 ' HE2' HH21 ' A' ' 42' ' ' ARG . 33.7 tt0 -96.31 117.31 30.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.332 0.587 . . . . 62.310000000000002 109.708 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 mt -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.045 -0.98 . . . . 75.019999999999996 111.108 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m -112.72 108.69 17.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.514 -0.55 . . . . 54.439999999999998 109.514 173.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.68 HD22 ' HE2' ' A' ' 31' ' ' MET . 12.4 mt -105.36 153.23 21.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 72.329999999999998 111.564 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.834 HH21 ' HD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -65.97 146.95 54.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.198 -0.91 . . . . 73.409999999999997 110.345 177.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.562 ' HZ3' ' HE2' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -54.56 -42.12 70.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.619 . . . . 72.430000000000007 110.181 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.595 ' HA ' ' OE2' ' A' ' 68' ' ' GLU . 35.9 m -61.56 -32.9 73.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 64.030000000000001 111.856 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.48 -35.57 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 71.040000000000006 110.738 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -22.07 63.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.209999999999994 111.027 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.595 ' OE2' ' HA ' ' A' ' 65' ' ' SER . 44.0 mt-10 -67.46 -31.52 71.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.18 0.514 . . . . 73.5 110.903 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.8 mmt -82.6 -20.39 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 73.420000000000002 111.246 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.555 HG22 HG13 ' A' ' 72' ' ' VAL . 53.5 mt -82.09 109.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.807 0.337 . . . . 73.430000000000007 110.608 -178.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.862 ' HE2' ' HG3' ' A' ' 1' ' ' MET . 8.0 tp10 -89.13 112.94 24.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.347 -0.612 . . . . 71.420000000000002 109.347 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.555 HG13 HG22 ' A' ' 70' ' ' ILE . 25.9 m -122.42 163.0 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.215 0.531 . . . . 73.430000000000007 111.465 -175.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.41 144.84 38.58 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.901 -0.778 . . . . 74.340000000000003 108.901 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.86 110.95 8.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.009 -1.108 . . . . 72.109999999999999 108.009 174.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.589 ' HG2' ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -59.71 157.35 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.283 0.563 . . . . 73.310000000000002 111.377 -173.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -61.46 109.68 1.24 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.374 -0.83 . . . . 65.010000000000005 109.764 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -82.58 17.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 54.43 111.262 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 71.57 153.27 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.475 -0.784 . . . . 74.040000000000006 111.431 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 62.0 70.24 0.59 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.387 -0.824 . . . . 71.420000000000002 110.48 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -94.75 -18.31 21.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.679 -0.86 . . . . 74.239999999999995 108.679 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.0 t60 . . . . . 0 C--O 1.242 0.692 0 CA-C-N 114.862 -1.063 . . . . 65.030000000000001 109.476 177.078 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 66.7 ttp . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.845 0.355 . . . . 71.010000000000005 110.751 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 72' ' ' VAL . 35.8 t80 -85.51 107.13 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.31 -0.996 . . . . 74.230000000000004 108.31 173.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' A' ' 68' ' ' GLU . 43.9 t -77.88 150.67 34.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.9 -0.591 . . . . 74.109999999999999 111.169 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.671 HD13 HG11 ' A' ' 72' ' ' VAL . 41.4 tp -66.87 -26.89 67.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.276 0.56 . . . . 72.140000000000001 109.719 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.601 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 2.5 tmm_? -83.26 -12.26 56.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.624 -0.716 . . . . 61.509999999999998 109.735 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.481 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 24.2 t70 -92.17 -20.17 21.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.772 . . . . 62.420000000000002 110.128 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.14 148.83 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.83 -0.623 . . . . 63.509999999999998 110.64 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -94.25 142.19 27.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.48 -0.327 . . . . 73.120000000000005 110.473 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.63 127.41 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 65.450000000000003 110.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.96 -10.98 29.53 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.953 -0.641 . . . . 41.340000000000003 111.74 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -106.3 157.45 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 63.119999999999997 110.895 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.8 m -109.88 129.16 55.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.908 -0.587 . . . . 64.519999999999996 110.323 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG12 HD23 ' A' ' 74' ' ' LEU . 34.7 m -120.66 179.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 73.120000000000005 110.173 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -131.46 136.12 47.68 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.132 -0.322 . . . . 62.340000000000003 110.132 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.642 ' HA ' HG12 ' A' ' 72' ' ' VAL . 93.8 t -73.77 117.51 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.408 -0.589 . . . . 63.43 109.408 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.46 HG21 ' HG2' ' A' ' 71' ' ' GLU . 14.0 m -111.04 -36.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.628 -0.429 . . . . 63.399999999999999 111.882 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.663 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 15.4 tppt? -140.73 134.89 30.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.018 0.437 . . . . 73.420000000000002 111.018 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.562 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 82.1 mt -105.84 107.37 18.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.26 -0.427 . . . . 64.420000000000002 110.262 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' HB2' ' O ' ' A' ' 69' ' ' MET . 35.1 m-70 -88.28 158.96 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.02 -0.363 . . . . 73.120000000000005 110.02 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.79 -167.25 24.06 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.505 -0.855 . . . . 70.120000000000005 112.707 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 p -85.72 1.87 47.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.102 0.477 . . . . 75.329999999999998 111.835 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.791 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 96.59 -47.32 1.73 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.658 -0.782 . . . . 74.310000000000002 111.84 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.29 93.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.094 0.473 . . . . 60.119999999999997 110.519 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.69 -41.97 98.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 74.209999999999994 110.122 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.791 ' HD3' ' HA2' ' A' ' 22' ' ' GLY . 52.7 mtpt -62.7 -46.73 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.633 -0.712 . . . . 72.340000000000003 110.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -58.01 -39.67 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.758 -0.656 . . . . 72.540000000000006 110.772 178.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -67.57 -43.09 81.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.36 -0.382 . . . . 72.439999999999998 110.768 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.563 HG22 ' HB ' ' A' ' 33' ' ' ILE . 73.7 mt -69.24 -38.78 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.678 0.275 . . . . 62.119999999999997 111.142 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.15 -29.26 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 75.239999999999995 110.551 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 27.5 t70 -61.74 -30.32 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.667 -0.697 . . . . 71.430000000000007 111.368 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.618 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.8 mpp? -81.17 -6.45 58.86 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.748 0.309 . . . . 70.310000000000002 111.452 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.77 2.13 46.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.539 -0.839 . . . . 74.319999999999993 112.195 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.563 ' HB ' HG22 ' A' ' 28' ' ' ILE . 46.4 mt -87.43 99.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.756 -0.461 . . . . 70.340000000000003 109.756 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -120.67 156.03 32.59 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.084 -0.507 . . . . 74.530000000000001 111.047 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 ptt85 -58.41 114.29 2.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 72.0 110.291 175.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.45 -31.71 4.12 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.383 -0.826 . . . . 75.409999999999997 112.396 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.62 149.29 42.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.805 0.336 . . . . 25.539999999999999 110.562 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -90.98 139.88 30.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.13 0.491 . . . . 73.239999999999995 110.293 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.431 HG21 HD11 ' A' ' 4' ' ' LEU . 31.1 mm -114.82 114.41 46.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.506 -0.77 . . . . 71.450000000000003 109.894 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -83.2 113.55 20.74 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.398 -0.593 . . . . 74.120000000000005 109.398 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -75.24 99.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.208 -0.664 . . . . 72.510000000000005 109.208 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.627 HH12 ' HE2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -77.84 -46.44 21.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.627 -0.715 . . . . 62.420000000000002 110.917 -171.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -160.8 122.81 3.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.942 0.401 . . . . 74.310000000000002 111.673 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.9 t -104.74 112.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.614 -0.884 . . . . 63.420000000000002 108.614 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.27 143.7 84.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.477 -0.329 . . . . 71.129999999999995 111.07 -176.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.12 -10.26 27.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.805 2.337 . . . . 72.109999999999999 112.117 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.99 -18.62 36.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 54.539999999999999 109.756 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -11.72 57.11 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.632 -0.713 . . . . 51.219999999999999 112.11 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.888 ' HD2' HH11 ' A' ' 63' ' ' ARG . 30.8 t70 -155.64 137.62 9.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.234 -0.284 . . . . 72.030000000000001 110.234 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -91.73 -174.76 6.96 Favored 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.364 -1.515 . . . . 73.439999999999998 112.752 0.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.53 HG22 HG23 ' A' ' 53' ' ' ILE . 3.6 mp -110.86 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.106 -0.701 . . . . 74.129999999999995 109.106 175.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -90.22 113.88 25.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.316 -0.624 . . . . 65.319999999999993 109.316 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.53 HG23 HG22 ' A' ' 51' ' ' ILE . 26.9 pt -120.81 158.35 23.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.459 -0.337 . . . . 72.099999999999994 110.701 -177.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.78 110.68 20.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.905 -0.405 . . . . 64.109999999999999 109.905 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.857 HG12 ' HG2' ' A' ' 56' ' ' ARG . 49.0 t -122.98 131.43 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.856 -0.611 . . . . 62.32 109.887 -178.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.857 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.9 mmt180 63.29 16.18 9.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.343 -0.39 . . . . 74.349999999999994 110.679 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.82 -16.19 61.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.015 -0.612 . . . . 74.120000000000005 112.17 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -101.71 135.35 43.39 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.099 -0.334 . . . . 71.420000000000002 110.099 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.627 ' HE2' HH12 ' A' ' 42' ' ' ARG . 9.5 pt-20 -84.08 124.28 30.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.362 0.601 . . . . 73.420000000000002 110.765 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.618 HD13 ' HB3' ' A' ' 31' ' ' MET . 67.4 mt -114.67 138.82 50.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.404 -0.816 . . . . 63.020000000000003 110.197 -176.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.1 m -94.55 106.23 18.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 109.962 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 tp -107.52 140.92 39.76 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.642 -0.503 . . . . 63.539999999999999 109.642 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.888 HH11 ' HD2' ' A' ' 49' ' ' ASP . 34.6 mmt180 -79.47 153.74 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 72.239999999999995 111.799 -177.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 30.8 ttpt -45.5 -53.18 9.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.587 -1.188 . . . . 72.120000000000005 112.369 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 p -63.76 -41.31 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.844 0.312 . . . . 71.209999999999994 111.844 -176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -68.45 -43.58 76.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 70.010000000000005 110.822 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.25 84.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.267 0.556 . . . . 70.219999999999999 110.901 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.497 ' HA ' ' HG ' ' A' ' 3' ' ' SER . 28.8 tt0 -68.93 -26.09 64.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.544 -0.753 . . . . 74.200000000000003 111.182 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.579 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 10.0 tpt -83.25 -8.03 59.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.095 -0.502 . . . . 72.319999999999993 110.786 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.521 HD12 ' CD1' ' A' ' 28' ' ' ILE . 36.8 mm -91.55 129.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.076 0.465 . . . . 74.239999999999995 111.399 -176.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.663 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.4 tt0 -93.68 116.56 29.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.294 -0.866 . . . . 73.530000000000001 109.664 177.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.671 HG11 HD13 ' A' ' 4' ' ' LEU . 28.0 m -124.57 171.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.254 -0.43 . . . . 72.129999999999995 110.662 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -123.52 131.13 53.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.077 -0.51 . . . . 74.450000000000003 109.707 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.58 HD23 HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -73.86 113.42 10.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.92 -0.77 . . . . 72.219999999999999 108.92 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.74 110.05 2.25 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.145 0.497 . . . . 71.329999999999998 110.411 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -78.0 91.47 4.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.582 -0.735 . . . . 71.230000000000004 109.149 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -87.99 45.4 1.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.617 0.722 . . . . 73.340000000000003 111.058 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -156.03 145.42 20.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.081 -1.081 . . . . 65.209999999999994 108.081 173.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -126.62 140.81 52.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.064 0.459 . . . . 72.209999999999994 111.584 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -91.08 -20.01 22.52 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.746 -0.835 . . . . 74.030000000000001 108.746 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.245 0.852 0 CA-C-N 114.881 -1.054 . . . . 61.219999999999999 108.822 175.243 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.599 ' HG3' ' HE2' ' A' ' 71' ' ' GLU . 23.7 ttt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.729 0.299 . . . . 55.299999999999997 110.381 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -131.67 102.06 5.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.326 -0.62 . . . . 75.329999999999998 109.326 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.534 ' HB3' ' HE3' ' A' ' 1' ' ' MET . 84.0 p -98.22 178.57 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.353 -0.385 . . . . 62.32 110.941 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.1 mt -70.84 -8.17 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.364 0.602 . . . . 61.340000000000003 110.211 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.718 ' HG3' ' HG2' ' A' ' 68' ' ' GLU . 24.2 mmm180 -85.33 -31.73 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.426 -0.807 . . . . 71.549999999999997 110.368 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -82.62 -28.81 30.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.893 -1.048 . . . . 71.209999999999994 109.946 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.71 155.24 40.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.488 -0.778 . . . . 73.129999999999995 111.238 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -107.26 153.77 22.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 73.400000000000006 109.739 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.642 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 9.9 p -58.79 140.83 54.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.678 0.275 . . . . 54.100000000000001 110.559 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.42 -22.66 35.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 62.130000000000003 112.593 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 53.6 mt-30 -69.89 133.06 46.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.937 0.399 . . . . 62.43 111.131 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -95.53 103.92 15.81 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.602 -0.726 . . . . 75.299999999999997 109.539 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 HD13 ' A' ' 74' ' ' LEU . 22.6 m -113.64 174.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.423 -0.584 . . . . 63.310000000000002 109.423 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.661 0.267 . . . . 53.240000000000002 110.465 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.35 124.43 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.72 -0.673 . . . . 72.319999999999993 110.342 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -117.26 -40.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.22 0.452 . . . . 73.239999999999995 112.22 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 50.1 tttm -139.04 149.69 44.92 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.477 -0.489 . . . . 62.5 110.548 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.87 112.87 19.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.957 -0.565 . . . . 62.25 110.006 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -72.59 -9.15 58.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 72.150000000000006 111.763 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.72 149.93 48.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.766 -0.73 . . . . 72.319999999999993 111.612 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 p -57.44 -79.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.38 . . . . 73.519999999999996 111.88 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.91 -57.64 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.205 -0.758 . . . . 64.340000000000003 111.205 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.3 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.932 0.396 . . . . 71.209999999999994 110.441 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.48 -46.81 83.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.687 -0.688 . . . . 73.319999999999993 110.711 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -59.92 -53.61 55.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.094 -0.503 . . . . 71.409999999999997 110.764 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -58.48 -40.66 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.525 -0.761 . . . . 64.549999999999997 111.495 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 27' ' ' ARG . 17.2 tpt180 -60.52 -47.49 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.632 0.253 . . . . 72.219999999999999 111.023 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.8 HD11 HD12 ' A' ' 70' ' ' ILE . 68.5 mt -61.28 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 72.319999999999993 111.005 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 68.2 mtm -67.06 -30.81 70.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 73.120000000000005 110.997 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.91 -35.81 81.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.735 -0.666 . . . . 50.439999999999998 110.704 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.536 ' HE2' HD22 ' A' ' 62' ' ' LEU . 67.0 mtm -76.92 -17.47 58.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.848 -0.615 . . . . 73.439999999999998 111.001 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.04 -8.76 6.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.6 -0.809 . . . . 53.310000000000002 113.356 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.68 HG12 HG22 ' A' ' 55' ' ' VAL . 51.1 mt -97.89 103.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.004 0.402 . . . . 63.43 111.173 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.5 t -128.66 173.05 10.64 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.937 -0.394 . . . . 51.119999999999997 109.937 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.92 142.29 54.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.28 -0.418 . . . . 74.239999999999995 110.379 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.95 -21.45 46.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.933 -0.651 . . . . 74.129999999999995 111.923 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.2 m -78.72 148.89 32.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 73.319999999999993 110.865 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.27 135.69 33.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.569 -0.741 . . . . 73.420000000000002 110.33 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 13' ' ' VAL . 19.8 mm -128.02 116.45 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 73.420000000000002 109.656 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 54' ' ' ASN . 4.4 p90 -112.72 130.66 55.98 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.256 -0.978 . . . . 72.420000000000002 109.237 171.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.86 ' HA ' HG22 ' A' ' 53' ' ' ILE . 4.4 mp -72.63 111.86 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.675 -0.693 . . . . 75.409999999999997 109.893 -175.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -56.84 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.64 -0.709 . . . . 74.519999999999996 111.128 -171.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 57.0 tttm -143.44 122.16 12.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.349 . . . . 74.120000000000005 110.992 -175.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -108.4 125.95 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.442 -0.345 . . . . 61.130000000000003 110.099 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.0 145.73 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.058 -0.349 . . . . 61.43 110.058 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -42.91 -46.49 8.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.915 3.077 . . . . 75.0 113.527 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.64 -35.07 72.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.668 . . . . 74.409999999999997 110.526 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.58 -3.12 20.0 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.529 -0.628 . . . . 61.5 111.529 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -138.92 124.22 11.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.811 -0.44 . . . . 71.049999999999997 109.811 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -89.36 -176.36 10.02 Favored 'Cis proline' 0 C--O 1.236 0.389 0 C-N-CA 123.411 -1.496 . . . . 73.310000000000002 112.754 -0.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.568 HD12 HH11 ' A' ' 5' ' ' ARG . 73.2 mt -119.02 121.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.943 -0.571 . . . . 62.200000000000003 109.799 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 35.2 tt0 -95.43 116.41 28.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.216 0.532 . . . . 74.209999999999994 109.937 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.86 HG22 ' HA ' ' A' ' 41' ' ' ILE . 1.4 pp -123.0 148.52 26.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.786 -0.643 . . . . 74.510000000000005 110.653 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.458 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 24.3 t-20 -97.83 112.92 24.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.862 0.363 . . . . 73.349999999999994 110.257 -178.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.729 HG12 ' HG2' ' A' ' 56' ' ' ARG . 23.2 t -119.51 124.51 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 64.400000000000006 109.962 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.729 ' HG2' HG12 ' A' ' 55' ' ' VAL . 20.0 mmm180 67.15 12.05 8.73 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 53.439999999999998 110.997 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.63 -15.17 58.76 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.138 -0.553 . . . . 64.549999999999997 111.834 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -100.94 132.53 46.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.132 -0.322 . . . . 73.349999999999994 110.132 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -82.42 124.77 30.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.09 0.472 . . . . 70.310000000000002 111.129 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.25 153.58 32.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 62.109999999999999 110.153 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.1 t -118.95 107.81 14.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.254 -0.43 . . . . 74.209999999999994 110.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.536 HD22 ' HE2' ' A' ' 31' ' ' MET . 16.6 mt -106.79 142.97 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.446 -0.343 . . . . 75.099999999999994 110.336 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -73.75 158.82 33.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.481 -0.562 . . . . 50.43 109.481 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 14.5 ptmm? -53.44 -37.73 62.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.425 . . . . 71.450000000000003 111.597 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -56.21 -40.92 74.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.392 . . . . 74.409999999999997 111.346 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.504 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.73 -34.14 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 61.109999999999999 110.953 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.88 -29.88 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.898 0.38 . . . . 63.520000000000003 110.988 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.718 ' HG2' ' HG3' ' A' ' 5' ' ' ARG . 48.7 mt-10 -70.29 -13.27 62.09 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.046 -0.525 . . . . 61.539999999999999 111.924 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptp -107.57 6.33 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.486 -0.486 . . . . 75.299999999999997 111.565 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.8 HD12 HD11 ' A' ' 28' ' ' ILE . 49.0 mm -97.78 118.15 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.997 -0.281 . . . . 61.420000000000002 110.568 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.599 ' HE2' ' HG3' ' A' ' 1' ' ' MET . 7.8 tp10 -92.88 120.1 32.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.733 -0.84 . . . . 75.140000000000001 108.733 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.544 HG13 HG22 ' A' ' 70' ' ' ILE . 21.3 m -126.58 162.51 30.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.273 0.559 . . . . 70.540000000000006 111.725 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -126.02 151.39 47.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 54.130000000000003 109.921 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? -87.11 123.32 32.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.131 -0.692 . . . . 75.530000000000001 109.131 171.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.01 -25.49 67.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.568 0.699 . . . . 63.509999999999998 109.367 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -119.52 89.47 3.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.589 -0.893 . . . . 73.329999999999998 108.589 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -62.87 138.83 58.65 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.882 0.372 . . . . 73.239999999999995 110.536 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -70.82 104.61 2.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.418 -0.81 . . . . 72.219999999999999 111.327 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -77.05 91.86 3.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.371 -0.831 . . . . 72.209999999999994 109.786 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -83.13 85.85 7.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.885 0.374 . . . . 75.299999999999997 110.059 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 t60 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.568 -0.73 . . . . 73.129999999999995 109.222 178.623 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.715 0.293 . . . . 63.439999999999998 110.652 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.421 ' CD2' HG21 ' A' ' 72' ' ' VAL . 69.0 t80 -85.28 111.89 20.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.961 -0.755 . . . . 71.209999999999994 108.961 173.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.85 ' HG ' ' HA ' ' A' ' 68' ' ' GLU . 28.0 t -88.35 149.82 23.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 65.310000000000002 112.046 -173.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.539 HD13 HG11 ' A' ' 72' ' ' VAL . 36.9 tp -63.42 -20.78 65.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.133 -0.94 . . . . 74.519999999999996 110.496 176.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.059 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 23.8 ptt180 -78.22 -15.86 58.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 63.119999999999997 111.159 -175.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -87.53 -16.38 34.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.944 0.402 . . . . 74.430000000000007 110.868 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.558 ' CB ' HG13 ' A' ' 41' ' ' ILE . . . -63.41 154.27 32.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.019 -0.537 . . . . 71.319999999999993 110.743 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -116.47 169.42 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.404 -0.362 . . . . 75.239999999999995 111.179 -175.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 p -65.82 110.44 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.224 0.535 . . . . 74.109999999999999 111.08 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.11 -11.8 22.23 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.872 -0.603 . . . . 72.400000000000006 111.83 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.59 145.85 27.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.247 0.546 . . . . 62.530000000000001 111.32 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 75' ' ' GLU . 14.4 m -109.25 134.07 52.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.32 -0.855 . . . . 65.519999999999996 109.127 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 74' ' ' LEU . 14.0 m -134.46 149.82 30.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.421 -0.215 . . . . 64.510000000000005 110.421 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -112.18 125.85 54.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.68 -0.237 . . . . 74.510000000000005 110.399 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.717 ' HA ' HG12 ' A' ' 72' ' ' VAL . 58.1 t -71.35 129.39 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 110.802 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.55 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 3.4 m -116.8 -46.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.288 -0.414 . . . . 72.549999999999997 111.697 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 14.4 mptt -130.18 156.94 43.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.893 0.377 . . . . 61.409999999999997 110.627 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.02 118.31 20.42 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.655 -0.498 . . . . 73.439999999999998 109.655 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -90.51 176.12 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 74.450000000000003 109.521 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.92 -177.04 16.37 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.302 -0.951 . . . . 74.439999999999998 112.746 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 p -75.26 -77.54 0.12 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.291 . . . . 74.319999999999993 111.778 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.66 -58.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.49 -0.862 . . . . 50.340000000000003 112.812 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.14 -33.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 71.140000000000001 110.693 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 28' ' ' ILE . 61.4 tp -58.33 -43.72 88.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.856 -0.611 . . . . 73.510000000000005 110.312 175.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.54 -43.5 98.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 71.200000000000003 110.411 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -57.48 -46.69 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 75.010000000000005 110.682 175.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -59.21 -47.05 86.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.717 -0.674 . . . . 75.140000000000001 110.943 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.544 HG22 ' HB ' ' A' ' 33' ' ' ILE . 74.0 mt -63.38 -42.68 97.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.206 0.527 . . . . 75.140000000000001 110.743 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 62.2 mtt -64.66 -50.1 68.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.715 -0.675 . . . . 72.349999999999994 111.583 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.39 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.182 0.515 . . . . 75.219999999999999 110.368 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.53 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 1.8 ttp -63.25 -25.73 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.161 -0.927 . . . . 74.239999999999995 110.682 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.46 -18.63 6.04 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.858 -0.687 . . . . 65.430000000000007 112.33 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.544 ' HB ' HG22 ' A' ' 28' ' ' ILE . 4.1 mp -81.64 103.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.131 0.491 . . . . 73.409999999999997 109.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.07 171.06 14.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.056 -0.52 . . . . 63.210000000000001 110.717 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -72.21 126.83 30.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.866 0.365 . . . . 71.409999999999997 110.751 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.63 -7.13 55.52 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.694 . . . . 34.329999999999998 112.695 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.66 144.6 27.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.728 0.299 . . . . 73.239999999999995 111.122 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -85.85 120.69 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 72.120000000000005 109.959 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.518 ' HB ' HG21 ' A' ' 13' ' ' VAL . 27.9 mm -104.19 114.77 44.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.088 -0.505 . . . . 63.310000000000002 109.998 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 48.3 t80 -93.51 112.47 24.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.009 -0.541 . . . . 73.530000000000001 109.742 176.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.558 HG13 ' CB ' ' A' ' 7' ' ' ALA . 19.4 mm -85.07 110.15 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.327 -0.62 . . . . 73.430000000000007 109.327 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.457 ' HD2' ' HG2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -102.35 -23.22 13.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.597 -0.441 . . . . 74.430000000000007 111.842 -174.725 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 63.8 tttm -150.95 127.26 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.68 0.276 . . . . 73.299999999999997 111.113 -176.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.3 t -124.74 122.0 62.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.436 -0.579 . . . . 55.520000000000003 109.436 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -70.73 145.26 92.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.569 -0.287 . . . . 71.340000000000003 110.78 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 34.0 Cg_exo -58.71 -27.86 84.7 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.905 2.403 . . . . 74.219999999999999 112.809 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.548 HD12 ' H ' ' A' ' 49' ' ' ASP . 3.8 pp -100.18 6.69 44.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.037 0.446 . . . . 71.530000000000001 110.792 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.22 -35.41 4.48 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.92 -0.582 . . . . 74.430000000000007 113.303 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.548 ' H ' HD12 ' A' ' 47' ' ' LEU . 23.1 t70 -118.27 130.37 24.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.996 0.398 . . . . 61.409999999999997 111.265 -173.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 98.4 Cg_endo -96.36 172.74 12.62 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.583 -1.424 . . . . 75.310000000000002 112.953 -2.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.5 mt -108.17 132.75 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.399 -0.593 . . . . 72.540000000000006 109.399 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 3.9 tp-100 -100.06 115.94 30.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.307 -0.406 . . . . 75.120000000000005 109.913 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.538 HG22 HD11 ' A' ' 41' ' ' ILE . 33.0 pt -119.97 139.37 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.88 0.372 . . . . 74.400000000000006 110.871 -177.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 11.6 m120 -95.48 110.93 22.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 74.109999999999999 110.551 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.631 HG12 ' HG2' ' A' ' 56' ' ' ARG . 42.4 t -135.5 130.54 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.602 -0.727 . . . . 31.050000000000001 109.697 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.631 ' HG2' HG12 ' A' ' 55' ' ' VAL . 34.2 mmt180 61.47 23.35 13.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.997 0.427 . . . . 75.219999999999999 111.269 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.11 -11.6 71.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.978 -0.629 . . . . 71.010000000000005 112.588 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -99.41 157.28 16.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.033 0.444 . . . . 51.439999999999998 111.12 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -99.37 113.32 25.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.872 -0.604 . . . . 55.009999999999998 109.416 171.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 HD13 ' HG2' ' A' ' 31' ' ' MET . 65.4 mt -102.59 128.26 49.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.639 -0.709 . . . . 74.340000000000003 110.631 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 p -90.62 109.72 20.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.123 -0.489 . . . . 64.439999999999998 109.863 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.6 tp -106.7 139.73 40.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.176 -0.466 . . . . 62.219999999999999 110.631 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.462 ' HG3' ' H ' ' A' ' 65' ' ' SER . 5.2 tpp180 -64.05 137.29 57.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 72.329999999999998 109.702 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.686 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 21.9 ptmt -55.6 -36.08 66.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.536 0.208 . . . . 74.310000000000002 110.75 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.462 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 40.2 t -61.12 -33.5 73.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.065 -0.516 . . . . 71.219999999999999 110.73 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.54 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.49 -40.13 57.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.308 -0.405 . . . . 72.230000000000004 110.019 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.96 85.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 52.420000000000002 111.114 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 1.059 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 6.0 pt-20 -76.8 0.94 18.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 54.149999999999999 111.458 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.4 ttm -111.84 -1.13 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.458 0.647 . . . . 73.549999999999997 109.677 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 66' ' ' ALA . 66.7 mt -103.69 130.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.828 -0.624 . . . . 63.130000000000003 110.17 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.6 tt0 -97.85 116.82 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.64 . . . . 74.230000000000004 109.926 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.717 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.6 m -130.83 -178.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.198 0.523 . . . . 75.019999999999996 111.075 -177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.15 144.66 40.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.538 -0.755 . . . . 74.219999999999999 109.047 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.543 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -69.29 113.7 6.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.246 -0.65 . . . . 64.239999999999995 109.246 -178.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 12' ' ' THR . 17.4 mm-40 -64.85 100.5 0.41 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.354 0.597 . . . . 73.019999999999996 110.592 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -62.58 112.4 2.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.985 -1.007 . . . . 62.130000000000003 108.507 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -110.71 86.69 2.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.528 0.68 . . . . 63.439999999999998 111.735 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -122.52 -37.72 2.75 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.439 -0.949 . . . . 72.549999999999997 108.439 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 56.97 38.17 29.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.814 -1.084 . . . . 63.329999999999998 112.382 170.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -168.45 125.81 1.07 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.262 -0.273 . . . . 63.130000000000003 110.262 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.663 -0.684 . . . . 63.25 109.519 177.02 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.026 -0.361 . . . . 73.129999999999995 110.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -120.13 97.82 5.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.354 0.597 . . . . 72.340000000000003 109.901 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.514 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 14.5 m -86.72 158.54 19.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.382 -0.827 . . . . 74.099999999999994 110.158 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.537 HD13 HG11 ' A' ' 72' ' ' VAL . 38.1 tp -58.98 -25.4 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.104 0.478 . . . . 73.530000000000001 110.278 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.539 ' HD3' ' HG2' ' A' ' 68' ' ' GLU . 46.4 ttp180 -53.5 -34.43 58.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.375 -0.83 . . . . 73.140000000000001 111.696 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -7.18 58.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 73.140000000000001 111.959 -173.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.42 142.09 36.26 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.13 -0.322 . . . . 75.129999999999995 110.13 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -98.85 154.31 18.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.899 0.38 . . . . 74.200000000000003 110.51 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -65.97 125.5 25.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 70.140000000000001 110.429 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 8.85 27.92 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.64 -0.79 . . . . 71.530000000000001 112.416 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -114.69 163.97 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 51.119999999999997 110.392 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -122.7 115.37 21.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 41.439999999999998 109.986 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.605 HG23 HD12 ' A' ' 41' ' ' ILE . 34.0 m -119.04 161.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.378 -0.374 . . . . 61.219999999999999 110.405 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -119.89 143.18 48.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.915 0.388 . . . . 74.129999999999995 110.324 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG22 ' CG2' ' A' ' 33' ' ' ILE . 57.5 t -79.16 129.3 37.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.597 -0.729 . . . . 75.299999999999997 110.445 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -114.71 -41.0 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.236 0.458 . . . . 65.230000000000004 112.236 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 81.1 tttt -139.26 125.25 19.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.272 0.558 . . . . 62.329999999999998 111.006 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.73 115.65 29.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.0 -0.545 . . . . 61.25 110.031 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -93.37 153.36 18.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.361 -0.381 . . . . 71.340000000000003 110.222 -178.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.34 -167.43 12.97 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.635 -0.793 . . . . 54.420000000000002 113.206 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -86.68 173.95 9.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.557 0.217 . . . . 72.239999999999995 110.81 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.81 -41.23 99.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.077 -0.582 . . . . 63.039999999999999 112.21 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.65 90.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.91 0.386 . . . . 72.400000000000006 111.109 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HG ' ' HE2' ' A' ' 69' ' ' MET . 4.3 mm? -70.99 -43.57 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 63.420000000000002 110.861 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -60.63 -43.12 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.92 0.39 . . . . 74.140000000000001 110.319 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -60.81 -39.11 87.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.917 -0.583 . . . . 72.099999999999994 111.344 177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.65 -47.69 82.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 62.119999999999997 110.556 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.713 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 76.8 mt -61.41 -44.42 98.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 70.439999999999998 110.748 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.585 ' HG2' HG23 ' A' ' 34' ' ' THR . 66.7 mtt -67.84 -34.82 77.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.109999999999999 111.249 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.09 -40.19 92.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.02 0.438 . . . . 74.019999999999996 110.261 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.713 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 64.5 mtm -68.19 -25.15 65.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 71.409999999999997 110.897 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.02 6.66 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.735 -0.745 . . . . 50.039999999999999 112.987 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.652 ' HB ' HG22 ' A' ' 28' ' ' ILE . 55.1 mt -102.95 108.78 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 64.040000000000006 111.681 -175.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.585 HG23 ' HG2' ' A' ' 29' ' ' MET . 57.2 p -121.29 177.1 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.097 -0.705 . . . . 72.219999999999999 109.097 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 -72.82 135.03 45.14 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.518 -0.473 . . . . 75.129999999999995 110.31 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.21 67.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.651 . . . . 53.109999999999999 112.271 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -79.25 145.3 33.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 74.25 110.791 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -98.88 136.07 39.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.555 -0.748 . . . . 71.209999999999994 110.277 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.427 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 61.3 mt -120.76 122.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 71.450000000000003 110.16 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -90.96 102.32 15.08 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.021 -0.733 . . . . 64.310000000000002 109.021 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.693 ' H ' HD13 ' A' ' 41' ' ' ILE . 3.9 mp -69.46 116.39 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.394 -0.595 . . . . 72.450000000000003 109.394 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -91.68 -48.02 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.586 -0.734 . . . . 64.299999999999997 111.129 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -152.28 117.45 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 53.340000000000003 111.298 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG23 HG23 ' A' ' 51' ' ' ILE . 51.3 t -103.88 134.77 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.549 -0.537 . . . . 73.310000000000002 109.549 175.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -87.88 143.56 33.57 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.689 -0.485 . . . . 72.239999999999995 109.689 173.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.3 Cg_exo -61.29 -21.79 72.75 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.947 2.431 . . . . 73.129999999999995 112.713 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -73.82 -24.39 59.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.228 0.537 . . . . 62.43 110.313 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.35 -11.69 43.54 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.769 -0.729 . . . . 45.299999999999997 111.466 -174.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -149.69 142.89 16.22 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 110.213 -0.292 . . . . 73.140000000000001 110.213 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -89.37 155.5 33.15 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.058 -1.643 . . . . 63.5 112.325 -4.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.519 HG23 HG23 ' A' ' 44' ' ' VAL . 64.3 mt -109.62 111.1 34.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.083 -0.508 . . . . 74.349999999999994 109.993 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.57 118.51 24.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.094 -0.503 . . . . 73.25 109.884 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.5 pt -122.78 136.92 58.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.047 -0.524 . . . . 75.340000000000003 110.141 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -94.1 110.38 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.657 -0.497 . . . . 74.25 109.657 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.688 HG12 ' HG3' ' A' ' 56' ' ' ARG . 53.9 t -120.52 120.77 63.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 72.219999999999999 110.356 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.688 ' HG3' HG12 ' A' ' 55' ' ' VAL . 31.6 mtm180 60.38 21.38 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 64.540000000000006 111.813 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.87 -1.42 57.99 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.673 -0.775 . . . . 50.329999999999998 112.847 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -116.6 131.41 56.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 75.430000000000007 110.227 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.91 111.17 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.656 0.741 . . . . 75.329999999999998 111.119 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 mt -95.91 127.48 41.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.119 -0.946 . . . . 51.399999999999999 110.314 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 p -89.39 105.96 18.13 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.358 -0.608 . . . . 60.340000000000003 109.358 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -112.74 130.52 56.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.14 -0.482 . . . . 61.299999999999997 109.812 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.83 169.25 15.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.716 0.293 . . . . 74.150000000000006 110.615 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 19.1 ptpt -56.94 -35.4 69.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.925 -0.579 . . . . 54.5 111.976 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.8 m -53.81 -53.9 45.95 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.212 0.32 . . . . 72.349999999999994 111.528 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.72 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.147 -0.221 . . . . 63.039999999999999 111.361 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.45 67.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.805 0.336 . . . . 74.400000000000006 111.377 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 58.9 mt-10 -78.86 -25.44 44.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.038 0.446 . . . . 50.030000000000001 110.401 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.567 ' HE2' ' HG ' ' A' ' 24' ' ' LEU . 83.9 mtp -84.66 -11.74 55.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.853 -0.612 . . . . 71.25 111.421 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.441 HG22 HG13 ' A' ' 72' ' ' VAL . 61.4 mt -97.15 112.45 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.808 0.337 . . . . 62.43 110.77 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 10.8 tp10 -82.58 117.07 22.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.739 -0.837 . . . . 71.019999999999996 108.739 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.537 HG11 HD13 ' A' ' 4' ' ' LEU . 22.6 m -121.45 158.65 24.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.592 0.711 . . . . 61.109999999999999 111.679 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -130.44 142.26 50.5 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.08 -0.964 . . . . 73.040000000000006 109.362 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 13' ' ' VAL . 4.1 mm? -68.92 171.14 8.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.051 0.453 . . . . 73.019999999999996 111.205 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.12 171.81 7.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.881 -0.6 . . . . 61.229999999999997 110.818 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -127.79 33.17 4.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.932 0.396 . . . . 70.010000000000005 110.202 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -66.34 -25.7 66.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.556 -0.747 . . . . 74.010000000000005 110.506 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -87.06 12.91 10.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.506 0.67 . . . . 75.120000000000005 110.203 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -131.26 -64.9 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.76 . . . . 73.319999999999993 109.871 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 53.35 77.56 0.17 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.107 -0.951 . . . . 71.329999999999998 110.929 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.226 -0.892 . . . . 71.519999999999996 110.267 -178.223 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.674 0.273 . . . . 74.439999999999998 110.577 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -117.61 111.22 18.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 75.239999999999995 109.051 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 16.9 p -86.7 149.44 24.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.151 -0.477 . . . . 51.340000000000003 111.061 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.41 ' CD1' HG22 ' A' ' 13' ' ' VAL . 55.1 tp -64.31 -24.18 67.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.854 -0.612 . . . . 62.229999999999997 110.869 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.564 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 3.0 tmm_? -70.7 -19.0 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 74.109999999999999 111.072 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -88.15 -13.34 41.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.108 0.48 . . . . 52.549999999999997 110.618 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.21 49.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.981 -0.554 . . . . 54.100000000000001 110.093 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.06 157.15 16.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.291 0.567 . . . . 54.340000000000003 111.273 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.8 p -66.98 125.52 26.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 72.219999999999999 111.043 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.2 -2.63 29.77 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.811 -0.709 . . . . 52.049999999999997 111.922 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -106.12 165.55 11.15 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.159 -0.311 . . . . 70.340000000000003 110.159 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -125.42 122.23 36.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.995 0.426 . . . . 74.129999999999995 110.525 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.722 HG12 HD23 ' A' ' 74' ' ' LEU . 33.6 m -114.69 173.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 64.329999999999998 110.925 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -127.52 131.95 50.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.896 -0.593 . . . . 73.329999999999998 109.632 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.593 ' HA ' HG12 ' A' ' 72' ' ' VAL . 46.8 t -77.68 114.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.36 -0.607 . . . . 55.25 109.36 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -108.64 -39.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.912 0.387 . . . . 73.329999999999998 111.624 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.723 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 86.7 tttt -142.23 152.93 43.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.164 -0.471 . . . . 73.150000000000006 109.774 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -132.09 111.96 11.92 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 64.209999999999994 109.829 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -82.25 -85.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.757 -0.46 . . . . 65.109999999999999 109.757 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 69' ' ' MET . . . 55.94 -144.07 35.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.738 -0.665 . . . . 72.420000000000002 113.067 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 p -118.23 14.1 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.213 0.53 . . . . 63.210000000000001 110.498 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.464 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 87.96 -60.78 4.11 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.794 -0.717 . . . . 44.030000000000001 111.578 -173.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -27.6 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 73.409999999999997 110.831 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.599 HD22 ' HA ' ' A' ' 66' ' ' ALA . 54.1 tp -68.79 -33.83 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 74.239999999999995 110.384 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 9.1 mtpm? -61.1 -46.26 91.34 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.104 -0.498 . . . . 60.219999999999999 110.689 -178.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -61.37 -41.27 96.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.891 -0.595 . . . . 41.549999999999997 110.686 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -62.64 -42.01 99.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 61.310000000000002 110.9 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.66 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 74.1 mt -65.15 -45.46 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 73.209999999999994 110.534 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.527 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 70.5 mtm -63.38 -32.59 74.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 54.509999999999998 111.348 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.58 -35.53 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 70.340000000000003 111.288 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.66 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 65.3 mtm -76.67 -4.64 44.21 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.434 -0.348 . . . . 73.040000000000006 111.346 -177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.47 2.33 47.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.931 -0.652 . . . . 61.210000000000001 111.928 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 29' ' ' MET . 36.1 mm -101.19 108.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.754 0.311 . . . . 72.040000000000006 110.549 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -136.75 176.17 8.95 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.117 -0.327 . . . . 61.520000000000003 110.117 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -69.19 117.26 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.098 -0.501 . . . . 74.230000000000004 110.187 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.35 -10.52 11.62 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.122 -0.561 . . . . 43.030000000000001 112.264 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.9 m -90.46 148.13 22.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 72.239999999999995 111.126 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -97.2 143.93 27.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 73.239999999999995 110.31 176.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.423 HG12 HG22 ' A' ' 55' ' ' VAL . 43.1 mt -126.21 120.17 56.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.149 0.499 . . . . 74.109999999999999 111.025 -177.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -95.81 108.14 20.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.138 -0.69 . . . . 73.109999999999999 109.138 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.56 ' H ' HD13 ' A' ' 41' ' ' ILE . 4.2 mp -77.46 125.5 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 61.439999999999998 110.118 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.688 ' HB2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 mmm180 -87.71 -57.04 3.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.802 -0.635 . . . . 63.409999999999997 111.214 -175.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 36.8 ttmt -150.52 137.78 19.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.458 -0.337 . . . . 75.310000000000002 110.459 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.55 138.41 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.234 -0.654 . . . . 52.310000000000002 109.234 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.12 145.23 56.0 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.371 -0.233 . . . . 54.43 110.371 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.5 -20.44 56.98 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.04 2.494 . . . . 74.219999999999999 112.937 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -104.32 0.23 28.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 70.510000000000005 110.782 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.913 ' HA3' ' HD3' ' A' ' 64' ' ' LYS . . . 126.11 -90.69 0.38 Allowed Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 121.111 -0.566 . . . . 72.010000000000005 112.574 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.782 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 5.3 p-10 -107.51 165.32 13.01 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 120.514 0.197 . . . . 64.530000000000001 110.733 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.782 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.9 Cg_endo -75.64 137.27 48.88 Favored 'Cis proline' 0 C--N 1.343 0.24 0 C-N-CA 123.318 -1.534 . . . . 72.340000000000003 112.982 2.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.65 112.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 73.340000000000003 109.404 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.688 ' HB3' ' HB2' ' A' ' 42' ' ' ARG . 21.5 mm-40 -79.43 114.27 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.897 -0.592 . . . . 74.019999999999996 110.694 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.496 HG13 ' HB2' ' A' ' 60' ' ' LEU . 39.1 pt -122.68 136.29 59.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.887 -0.412 . . . . 74.099999999999994 109.887 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -108.45 109.82 21.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.032 -0.358 . . . . 70.450000000000003 110.032 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.725 HG12 ' HG2' ' A' ' 56' ' ' ARG . 58.4 t -136.5 133.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.068 -0.514 . . . . 72.430000000000007 110.184 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.725 ' HG2' HG12 ' A' ' 55' ' ' VAL . 4.2 mmp_? 63.44 18.31 10.95 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.962 -0.563 . . . . 73.450000000000003 111.083 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.32 67.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.089 -0.577 . . . . 74.140000000000001 112.303 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -87.28 136.99 32.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.839 0.352 . . . . 74.019999999999996 110.774 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -90.16 112.86 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.765 -0.828 . . . . 74.439999999999998 108.765 172.305 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.496 ' HB2' HG13 ' A' ' 53' ' ' ILE . 85.6 mt -109.69 127.77 54.81 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.763 -0.653 . . . . 74.400000000000006 111.421 -173.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -93.9 105.76 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 74.329999999999998 109.494 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.9 tp -105.43 134.7 48.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.908 0.385 . . . . 72.329999999999998 110.513 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.57 142.49 44.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 73.299999999999997 109.64 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.913 ' HD3' ' HA3' ' A' ' 48' ' ' GLY . 18.6 pttp -67.52 -24.99 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.826 -0.35 . . . . 73.049999999999997 111.009 -175.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -52.82 -36.55 58.74 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.057 0.456 . . . . 54.409999999999997 110.41 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.599 ' HA ' HD22 ' A' ' 24' ' ' LEU . . . -77.84 -50.16 12.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 60.25 111.025 174.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' A' ' 70' ' ' ILE . . . -61.59 -29.25 69.91 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.69 0.626 . . . . 42.200000000000003 112.69 -172.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.686 ' HE2' ' HZ1' ' A' ' 64' ' ' LYS . 42.4 mt-10 -76.63 -12.05 59.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.886 0.374 . . . . 75.409999999999997 111.197 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.409 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 1.1 mpt? -107.05 1.25 24.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.506 . . . . 72.310000000000002 110.789 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.628 HG22 HG13 ' A' ' 72' ' ' VAL . 73.5 mt -91.08 133.6 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 110.573 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 5.2 tp10 -99.46 109.53 22.09 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.561 -0.533 . . . . 73.329999999999998 109.561 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.628 HG13 HG22 ' A' ' 70' ' ' ILE . 30.5 m -126.78 164.51 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.033 0.444 . . . . 62.219999999999999 111.072 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.754 ' HE2' ' H ' ' A' ' 77' ' ' HIS . 9.2 pt-20 -116.29 144.47 44.19 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.364 -0.606 . . . . 75.400000000000006 109.364 174.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.722 HD23 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -84.99 49.19 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.503 -0.554 . . . . 74.239999999999995 109.503 179.183 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 56.26 90.92 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.928 -0.578 . . . . 64.420000000000002 109.492 -175.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -151.47 -32.41 0.15 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.428 0.529 . . . . 74.120000000000005 112.428 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.754 ' H ' ' HE2' ' A' ' 73' ' ' GLU . 22.1 t-80 -82.15 70.75 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.998 0.427 . . . . 62.109999999999999 111.67 -172.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 45.0 68.44 0.56 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.781 -1.1 . . . . 64.439999999999998 113.261 170.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -137.55 81.7 1.88 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.428 -0.582 . . . . 72.120000000000005 109.428 170.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -66.79 127.73 33.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.267 -0.879 . . . . 64.120000000000005 111.114 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.246 0.895 0 CA-C-N 115.571 -0.74 . . . . 72.329999999999998 109.662 177.295 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.859 0.361 . . . . 53.420000000000002 110.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -105.43 113.91 27.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.166 -0.679 . . . . 72.430000000000007 109.166 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -96.4 172.74 7.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.826 0.346 . . . . 52.329999999999998 110.629 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 72' ' ' VAL . 32.4 tp -70.71 -16.18 62.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.253 0.549 . . . . 75.209999999999994 110.146 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 5' ' ' ARG . 15.2 tpt180 -83.63 -14.48 51.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.958 -0.565 . . . . 74.120000000000005 110.103 177.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -81.76 -21.6 37.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.224 -0.444 . . . . 73.439999999999998 110.085 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . -83.19 151.7 25.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.023 -0.535 . . . . 65.120000000000005 110.966 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 7' ' ' ALA . 13.5 mptt -118.02 173.7 6.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 74.329999999999998 110.978 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.712 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 1.8 p -64.03 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.8 -0.636 . . . . 72.030000000000001 111.539 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.68 -15.26 63.71 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.726 -0.67 . . . . 72.040000000000006 112.27 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -93.6 126.27 38.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.043 0.449 . . . . 64.540000000000006 110.956 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -92.99 118.08 30.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.599 -0.728 . . . . 73.230000000000004 110.39 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.45 HG12 HD13 ' A' ' 74' ' ' LEU . 35.4 m -118.91 165.56 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.236 -0.438 . . . . 62.43 110.544 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -121.32 128.71 52.57 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.886 -0.413 . . . . 70.349999999999994 109.886 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.621 ' HA ' HG12 ' A' ' 72' ' ' VAL . 61.9 t -70.45 126.27 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.42 . . . . 63.130000000000003 110.547 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -117.6 -39.22 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.152 0.427 . . . . 63.229999999999997 112.152 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.842 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 12.0 mptt -132.25 140.86 48.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 73.319999999999993 111.041 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' CD2' HD13 ' A' ' 70' ' ' ILE . 81.6 mt -113.71 103.24 11.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.038 -0.727 . . . . 75.329999999999998 109.038 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.403 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 36.4 m-70 -85.93 -85.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 64.109999999999999 110.275 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.8 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . 59.76 -159.17 22.7 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.128 -0.558 . . . . 43.32 113.405 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.626 HG23 HD21 ' A' ' 24' ' ' LEU . 15.0 t -121.82 21.72 10.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.776 0.798 . . . . 73.439999999999998 109.871 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.5 -63.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 70.530000000000001 112.361 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.69 -37.65 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.088 0.47 . . . . 63.43 111.325 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD21 HG23 ' A' ' 21' ' ' THR . 4.1 mm? -62.66 -39.85 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 54.310000000000002 111.09 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 19' ' ' HIS . 98.7 mttt -55.24 -52.96 61.71 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.327 0.392 . . . . 74.040000000000006 110.885 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -59.25 -52.42 65.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.95 -0.568 . . . . 73.010000000000005 111.333 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.645 ' O ' ' HG3' ' A' ' 31' ' ' MET . 41.9 mtp180 -59.14 -48.69 80.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 73.239999999999995 111.514 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.586 ' CD1' HD12 ' A' ' 70' ' ' ILE . 77.0 mt -63.74 -32.93 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.009 0.433 . . . . 72.200000000000003 110.65 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtm -70.19 -40.75 74.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 63.299999999999997 110.771 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.35 -30.91 70.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 73.510000000000005 111.292 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 39.9 mtt -66.69 -22.79 66.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 60.149999999999999 110.907 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.71 5.09 26.08 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.412 -0.675 . . . . 70.230000000000004 111.412 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.453 HD13 HD12 ' A' ' 39' ' ' ILE . 47.5 mm -98.18 111.5 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 65.420000000000002 110.557 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -127.25 173.91 9.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.379 -0.373 . . . . 55.200000000000003 110.315 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 35' ' ' ARG . 11.9 mtp180 -68.24 120.23 14.06 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.571 -0.529 . . . . 72.120000000000005 109.571 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.86 6.25 30.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.841 -0.695 . . . . 74.519999999999996 112.264 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.86 144.36 30.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.598 0.237 . . . . 60.350000000000001 110.726 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -89.42 142.34 27.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.299 -0.409 . . . . 64.099999999999994 110.428 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.454 HG12 HG22 ' A' ' 55' ' ' VAL . 56.5 mt -142.45 129.99 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 33.240000000000002 109.367 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.603 ' CE1' ' HB3' ' A' ' 54' ' ' ASN . 6.2 p90 -116.43 135.5 53.79 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.982 -0.748 . . . . 75.540000000000006 108.982 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.712 ' HB ' ' HA ' ' A' ' 9' ' ' CYS . 27.4 mm -70.34 118.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.667 -0.494 . . . . 74.409999999999997 109.667 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.462 ' H ' ' HA ' ' A' ' 53' ' ' ILE . 11.8 tpt180 -73.47 -57.99 3.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.933 -0.576 . . . . 73.209999999999994 109.778 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -155.35 145.73 21.95 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.974 -0.557 . . . . 71.310000000000002 109.728 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.539 HG13 HG22 ' A' ' 51' ' ' ILE . 55.4 t -110.37 126.78 67.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.424 -0.584 . . . . 75.230000000000004 109.424 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.66 144.86 63.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 62.350000000000001 110.122 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.5 -21.7 25.07 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.155 2.57 . . . . 73.239999999999995 113.433 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.727 ' H ' HD21 ' A' ' 47' ' ' LEU . 1.5 pt? -101.96 3.78 39.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.621 -0.263 . . . . 71.319999999999993 111.563 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.37 -23.6 17.99 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.983 -0.627 . . . . 61.409999999999997 112.894 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.603 ' HD2' HH21 ' A' ' 63' ' ' ARG . 15.1 t70 -127.02 124.7 24.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.24 -0.281 . . . . 73.0 110.24 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 94.9 Cg_endo -96.79 -165.41 1.08 Allowed 'Cis proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.635 -1.402 . . . . 74.430000000000007 112.55 -2.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.539 HG22 HG13 ' A' ' 44' ' ' VAL . 17.2 pt -116.67 135.04 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 64.319999999999993 110.342 175.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -97.79 128.03 44.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.858 -0.61 . . . . 75.349999999999994 109.593 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' HA ' ' H ' ' A' ' 42' ' ' ARG . 39.4 pt -124.76 156.51 33.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.764 -0.458 . . . . 60.210000000000001 109.764 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.603 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 18.1 t-20 -119.51 110.3 16.73 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.717 -0.475 . . . . 63.32 109.717 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.827 HG12 ' HG2' ' A' ' 56' ' ' ARG . 22.0 t -138.12 136.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.102 -0.499 . . . . 71.310000000000002 110.139 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.827 ' HG2' HG12 ' A' ' 55' ' ' VAL . 13.0 mmt85 67.52 11.92 8.62 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.729 0.411 . . . . 72.120000000000005 111.409 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.25 -2.62 71.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.054 -0.593 . . . . 74.450000000000003 112.137 -175.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -107.76 139.29 42.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.971 0.415 . . . . 72.430000000000007 110.925 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.81 110.12 21.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.476 0.655 . . . . 64.109999999999999 109.801 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 mt -105.42 152.2 23.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.465 -0.789 . . . . 74.340000000000003 109.58 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -127.72 114.96 17.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.617 -0.433 . . . . 62.240000000000002 110.158 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.92 141.09 38.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.954 -0.566 . . . . 63.229999999999997 109.974 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.603 HH21 ' HD2' ' A' ' 49' ' ' ASP . 26.4 mtp180 -72.25 155.56 40.07 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.632 -0.427 . . . . 71.209999999999994 109.963 176.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -56.34 -34.68 66.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.521 . . . . 73.5 111.565 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -60.7 -39.84 90.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 42.219999999999999 111.409 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.586 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -75.43 -33.95 60.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.047 -0.353 . . . . 55.219999999999999 110.047 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.45 97.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.611 . . . . 62.310000000000002 111.399 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.11 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.251 -0.431 . . . . 71.450000000000003 111.292 -178.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.8 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 64.6 mtt -91.03 -11.16 39.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 74.129999999999995 110.627 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' ' 66' ' ' ALA . 36.7 mm -98.27 129.74 48.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.107 -0.497 . . . . 62.25 110.261 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.842 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.4 tt0 -102.04 125.04 48.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 74.140000000000001 109.628 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' ' 15' ' ' VAL . 29.3 m -132.3 174.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.14 0.495 . . . . 74.319999999999993 111.331 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -139.15 143.04 38.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.38 -0.827 . . . . 65.129999999999995 109.492 177.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.45 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? -69.51 133.6 47.88 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.444 -0.206 . . . . 60.210000000000001 110.444 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.3 102.25 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.779 -0.822 . . . . 74.519999999999996 108.779 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -163.54 71.15 0.24 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.572 -0.899 . . . . 75.329999999999998 108.572 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -47.47 112.71 0.58 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.456 -1.247 . . . . 61.109999999999999 112.612 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -126.21 151.85 46.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 71.430000000000007 110.786 174.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -127.83 102.87 6.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.663 -0.699 . . . . 71.540000000000006 109.548 172.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -156.49 142.39 17.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.105 -0.498 . . . . 65.209999999999994 109.906 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 39.9 m170 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.486 -0.768 . . . . 71.200000000000003 109.136 176.552 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.733 ' HE3' ' HG ' ' A' ' 3' ' ' SER . 22.4 ptm . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 109.9 -0.407 . . . . 54.039999999999999 109.9 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -129.07 93.14 3.52 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.263 -0.643 . . . . 72.510000000000005 109.263 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.733 ' HG ' ' HE3' ' A' ' 1' ' ' MET . 44.8 m -114.06 -176.83 2.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 73.030000000000001 110.938 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.602 HD22 HG21 ' A' ' 53' ' ' ILE . 19.4 tp -61.62 -22.32 65.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.782 -0.645 . . . . 73.329999999999998 111.009 -178.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.63 ' HG2' ' HB3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -78.67 -12.66 60.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.819 -0.628 . . . . 52.439999999999998 110.871 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.56 ' HD2' ' HE ' ' A' ' 5' ' ' ARG . 4.1 m-20 -91.82 -18.77 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 54.420000000000002 111.748 -174.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.94 179.39 7.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.194 0.521 . . . . 65.230000000000004 112.11 -173.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -107.5 -176.65 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 72.109999999999999 110.149 -178.185 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.514 ' SG ' ' HB ' ' A' ' 44' ' ' VAL . 36.0 m -82.37 141.21 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 62.539999999999999 110.66 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.87 5.58 89.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.961 -0.638 . . . . 74.310000000000002 112.805 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.505 HE21 HD11 ' A' ' 74' ' ' LEU . 15.9 mm100 -87.17 146.33 26.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 73.299999999999997 111.241 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 m -103.41 106.79 17.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 74.099999999999994 109.801 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -113.01 159.7 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.329 -0.396 . . . . 72.329999999999998 110.477 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -120.04 141.92 49.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.802 0.334 . . . . 74.129999999999995 111.004 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.62 132.54 31.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.887 -0.597 . . . . 74.239999999999995 111.233 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 m -118.02 -42.84 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.033 0.383 . . . . 74.299999999999997 112.033 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 55.1 mtmt -135.9 161.7 34.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.54 0.21 . . . . 74.340000000000003 110.525 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 61.5 mt -134.97 112.57 10.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.17 0.509 . . . . 65.349999999999994 111.127 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 35.7 m-70 -88.99 175.6 7.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.454 -0.793 . . . . 73.239999999999995 109.705 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.45 176.29 14.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.401 -0.904 . . . . 71.400000000000006 112.915 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -87.42 24.59 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.022 0.439 . . . . 75.120000000000005 111.662 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.58 -55.92 4.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.668 -0.777 . . . . 73.019999999999996 111.637 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.45 90.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 43.119999999999997 110.552 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.33 -46.93 81.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 71.329999999999998 110.613 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 97.2 mttt -53.39 -49.26 67.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 72.140000000000001 110.239 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.25 -51.22 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 74.109999999999999 110.822 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' A' ' 31' ' ' MET . 10.0 ttm180 -54.78 -47.84 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 74.409999999999997 110.826 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.578 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 96.0 mt -58.26 -49.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.856 -0.611 . . . . 71.439999999999998 110.929 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.4 mtt -62.61 -43.28 99.22 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.095 0.474 . . . . 63.140000000000001 110.857 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.43 -0.805 . . . . 73.409999999999997 111.414 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.578 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 67.1 mtm -78.21 -6.15 54.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 64.25 111.116 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.52 4.86 34.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.659 -0.782 . . . . 71.129999999999995 112.552 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.72 HG23 HD12 ' A' ' 39' ' ' ILE . 54.0 mt -94.97 95.91 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.311 0.577 . . . . 62.340000000000003 110.607 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 p -113.86 172.23 7.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.643 -0.708 . . . . 72.019999999999996 110.688 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -73.16 117.35 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 71.530000000000001 110.169 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.55 -15.61 22.06 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.701 -0.762 . . . . 72.010000000000005 112.955 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.24 145.23 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.28 0.54 . . . . 72.010000000000005 110.688 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.33 113.2 25.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.811 -0.631 . . . . 65.409999999999997 110.123 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.72 HD12 HG23 ' A' ' 33' ' ' ILE . 64.6 mt -104.33 116.15 47.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.178 0.513 . . . . 53.210000000000001 110.825 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -83.04 113.64 20.73 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.382 -0.826 . . . . 74.340000000000003 109.639 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -78.31 119.86 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.946 -0.39 . . . . 73.400000000000006 109.946 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.71 ' HG3' ' HG2' ' A' ' 43' ' ' LYS . 18.8 tpp180 -78.55 -58.84 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.897 0.379 . . . . 74.230000000000004 110.681 -176.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.71 ' HG2' ' HG3' ' A' ' 42' ' ' ARG . 75.0 mmtt -144.02 134.13 24.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 63.109999999999999 110.94 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.514 ' HB ' ' SG ' ' A' ' 9' ' ' CYS . 57.6 t -120.81 124.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.041 -0.726 . . . . 74.230000000000004 109.041 172.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 145.23 89.5 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.641 -0.254 . . . . 52.329999999999998 110.873 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.93 -23.51 75.96 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.791 2.327 . . . . 74.510000000000005 111.889 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.735 ' H ' HD21 ' A' ' 47' ' ' LEU . 1.2 pt? -92.89 9.88 33.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.775 -0.648 . . . . 71.519999999999996 110.57 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -79.66 0.32 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.865 -0.607 . . . . 71.420000000000002 111.619 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.656 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.4 p-10 -106.49 160.14 27.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 110.111 -0.329 . . . . 74.030000000000001 110.111 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.656 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 90.2 Cg_endo -81.15 153.3 81.32 Favored 'Cis proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.166 -1.597 . . . . 52.039999999999999 113.152 0.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.453 HG23 HG23 ' A' ' 44' ' ' VAL . 59.1 mt -108.64 115.89 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.83 -0.623 . . . . 73.319999999999993 109.743 176.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -98.6 121.48 40.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.668 -0.696 . . . . 74.510000000000005 110.291 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.602 HG21 HD22 ' A' ' 4' ' ' LEU . 30.6 pt -121.22 150.75 24.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.336 -0.393 . . . . 75.239999999999995 110.258 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -109.8 110.21 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.844 0.354 . . . . 72.510000000000005 110.286 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.611 HG12 ' HG2' ' A' ' 56' ' ' ARG . 59.7 t -111.92 128.16 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 109.784 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.611 ' HG2' HG12 ' A' ' 55' ' ' VAL . 21.1 mmt180 66.11 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.793 0.683 . . . . 61.329999999999998 109.965 -175.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.406 ' H ' ' HB2' ' A' ' 56' ' ' ARG . . . -156.7 18.07 0.42 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.603 -0.999 . . . . 63.409999999999997 110.603 175.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -124.72 132.72 53.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.619 . . . . 73.209999999999994 109.327 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -91.39 130.55 37.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 70.209999999999994 111.394 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.06 125.83 52.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.956 . . . . 74.319999999999993 110.285 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -97.25 107.05 19.48 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.603 -0.517 . . . . 72.140000000000001 109.603 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.418 HD22 ' HE2' ' A' ' 31' ' ' MET . 68.9 mt -109.58 142.2 41.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.187 -0.46 . . . . 55.299999999999997 110.792 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -78.3 171.58 14.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.549 . . . . 75.099999999999994 110.26 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -57.33 -37.07 71.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 72.140000000000001 110.879 -173.454 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.542 ' O ' ' HG3' ' A' ' 69' ' ' MET . 18.0 m -59.66 -45.25 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.408 0.521 . . . . 51.119999999999997 112.408 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -31.74 61.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 71.5 110.641 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.29 73.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 75.349999999999994 111.214 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.63 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 6.1 pt-20 -87.71 3.13 49.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 73.230000000000004 110.885 177.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.542 ' HG3' ' O ' ' A' ' 65' ' ' SER . 67.1 mtt -98.39 -27.03 14.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.956 0.408 . . . . 74.540000000000006 110.104 174.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.442 HG12 HD11 ' A' ' 28' ' ' ILE . 56.3 mt -85.99 98.33 6.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.312 -0.404 . . . . 74.540000000000006 110.406 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.537 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.2 tp10 -74.42 123.39 24.59 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.579 -0.897 . . . . 72.400000000000006 108.579 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -129.17 -176.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.734 0.778 . . . . 73.019999999999996 112.217 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -144.3 130.88 20.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.587 -1.188 . . . . 75.439999999999998 109.107 175.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.505 HD11 HE21 ' A' ' 11' ' ' GLN . 30.1 tp -103.41 133.56 48.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.192 -0.458 . . . . 62.109999999999999 110.328 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.1 141.72 58.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.967 -0.56 . . . . 74.209999999999994 110.378 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.526 ' HB2' ' HB2' ' A' ' 79' ' ' HIS . 58.6 m80 -123.25 137.34 54.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.017 -0.538 . . . . 74.439999999999998 110.339 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -69.49 -28.96 66.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.387 -0.597 . . . . 75.040000000000006 109.387 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -140.79 97.54 3.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.332 -0.849 . . . . 74.439999999999998 109.458 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.526 ' HB2' ' HB2' ' A' ' 76' ' ' HIS . 56.1 t-80 -110.27 75.04 0.91 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.971 0.415 . . . . 75.430000000000007 110.049 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -170.33 130.17 0.9 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.768 -0.651 . . . . 75.209999999999994 109.355 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.536 -0.745 . . . . 63.0 109.95 178.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.59 0.233 . . . . 74.200000000000003 110.53 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -109.61 124.28 50.88 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.339 -0.615 . . . . 74.209999999999994 109.339 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -105.58 148.83 26.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.235 -0.439 . . . . 72.400000000000006 110.673 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.28 -25.56 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.435 0.636 . . . . 71.420000000000002 109.737 176.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.882 ' HD2' ' HG3' ' A' ' 68' ' ' GLU . 31.6 ttt-85 -58.9 -23.93 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.049 -0.978 . . . . 74.109999999999999 111.285 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -114.23 8.22 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.262 0.553 . . . . 73.329999999999998 110.841 -172.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 126.83 30.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 73.25 109.905 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 12.2 mptt -77.8 157.02 30.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.188 -0.46 . . . . 71.420000000000002 111.3 -175.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.06 130.13 41.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.036 -0.529 . . . . 63.43 110.958 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 4.65 59.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.832 -0.699 . . . . 75.5 112.206 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -94.88 156.52 16.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.092 0.473 . . . . 45.039999999999999 110.93 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 m -118.68 114.43 22.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.531 -0.759 . . . . 61.039999999999999 109.123 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.39 162.58 12.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.46 . . . . 71.150000000000006 111.474 -174.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' CE ' ' HB3' ' A' ' 38' ' ' GLU . 2.5 tpmt? -119.27 120.34 36.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.56 -0.746 . . . . 75.340000000000003 109.473 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.592 ' HA ' HG12 ' A' ' 72' ' ' VAL . 53.0 t -69.34 125.51 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 110.364 -0.236 . . . . 73.239999999999995 110.364 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG21 ' HG2' ' A' ' 71' ' ' GLU . 10.7 m -120.33 -41.95 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.308 0.485 . . . . 75.219999999999999 112.308 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.799 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 60.9 mttp -132.09 150.42 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.04 0.448 . . . . 73.030000000000001 111.035 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.48 95.28 4.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.412 -0.588 . . . . 63.229999999999997 109.412 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -85.42 2.32 44.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 72.540000000000006 111.874 -172.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . -65.67 -45.16 90.65 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.79 -0.719 . . . . 65.230000000000004 111.808 176.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.439 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 10.7 m 75.23 133.42 0.05 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.21 0.604 . . . . 75.540000000000006 112.431 174.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 26' ' ' ARG . . . 55.87 -107.1 0.73 Allowed Glycine 0 C--N 1.334 0.462 0 CA-C-N 115.528 -0.76 . . . . 72.230000000000004 113.694 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.74 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.168 0.508 . . . . 72.430000000000007 111.733 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.85 -45.47 64.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 72.140000000000001 110.637 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 21' ' ' THR . 96.4 mttt -58.25 -48.6 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 74.120000000000005 110.839 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 30.5 mmm-85 -57.69 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.010000000000005 111.616 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -57.7 -45.1 86.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.838 0.352 . . . . 72.310000000000002 110.859 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.443 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 94.9 mt -63.97 -46.48 93.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.084 -0.507 . . . . 75.109999999999999 110.962 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.92 -34.79 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 74.329999999999998 111.236 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.81 -29.93 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 73.329999999999998 110.945 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.722 ' HE2' HD22 ' A' ' 62' ' ' LEU . 63.8 mtm -81.02 2.43 27.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.07 -0.514 . . . . 62.200000000000003 110.905 178.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.98 -5.31 59.45 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.898 -0.668 . . . . 50.229999999999997 112.509 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.564 HG12 HG11 ' A' ' 55' ' ' VAL . 27.5 mt -86.25 95.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.446 . . . . 74.150000000000006 109.979 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 p -118.77 154.01 33.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 62.119999999999997 110.67 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -60.67 121.27 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 71.140000000000001 110.006 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.02 -18.79 9.64 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.862 -0.685 . . . . 75.299999999999997 112.104 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -84.45 167.39 16.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.875 0.369 . . . . 74.129999999999995 110.712 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' HB3' ' CE ' ' A' ' 14' ' ' LYS . 8.2 pt-20 -117.41 140.95 48.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.053 -0.521 . . . . 71.439999999999998 110.355 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.695 HG12 HG23 ' A' ' 55' ' ' VAL . 55.8 mt -124.54 130.18 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.956 -0.566 . . . . 71.340000000000003 110.401 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -100.09 120.71 40.27 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.579 -0.737 . . . . 72.519999999999996 109.533 173.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.483 ' N ' HD13 ' A' ' 41' ' ' ILE . 3.8 mp -94.97 125.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.249 -0.432 . . . . 63.439999999999998 110.034 -177.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.872 HH12 ' HE2' ' A' ' 59' ' ' GLU . 1.2 mpt_? -97.51 -57.33 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.986 0.422 . . . . 64.420000000000002 111.226 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 59.3 mmtt -121.8 130.33 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 112.246 -172.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.2 t -122.25 123.91 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.925 -1.034 . . . . 73.129999999999995 108.377 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 150.12 91.79 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.648 -0.251 . . . . 71.530000000000001 110.972 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.52 -17.75 55.76 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.91 2.407 . . . . 73.239999999999995 112.66 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.711 ' H ' HD21 ' A' ' 47' ' ' LEU . 2.3 pt? -111.09 6.21 20.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 71.310000000000002 110.434 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.48 -78.83 0.25 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 121.03 -0.605 . . . . 74.519999999999996 112.645 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.776 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 9.2 p-10 -91.07 149.42 39.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.675 0.274 . . . . 65.230000000000004 111.221 -175.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -93.85 157.84 18.3 Favored 'Cis proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.942 -1.274 . . . . 64.409999999999997 112.712 -2.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.417 HG22 HG23 ' A' ' 53' ' ' ILE . 63.6 mt -105.08 129.69 57.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.032 -0.531 . . . . 72.409999999999997 110.504 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 2.0 mp0 -99.67 112.77 24.97 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.288 -0.415 . . . . 63.009999999999998 110.472 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 34.8 pt -125.78 163.74 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 73.219999999999999 110.87 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 27.0 t-20 -120.22 122.8 41.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 73.209999999999994 110.076 177.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.74 HG12 ' HG2' ' A' ' 56' ' ' ARG . 40.0 t -132.58 129.19 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 75.420000000000002 109.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.74 ' HG2' HG12 ' A' ' 55' ' ' VAL . 36.4 mmt180 67.0 9.69 7.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.319 0.387 . . . . 72.129999999999995 111.178 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.27 -16.04 60.51 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.627 -0.589 . . . . 55.43 111.627 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.438 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 93.1 m-85 -86.83 152.93 22.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.419 . . . . 74.530000000000001 110.72 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.872 ' HE2' HH12 ' A' ' 42' ' ' ARG . 32.7 mm-40 -85.56 122.45 29.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 75.299999999999997 110.042 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' HG ' HD12 ' A' ' 33' ' ' ILE . 3.6 mm? -119.04 131.32 55.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.251 0.548 . . . . 74.239999999999995 110.849 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -122.24 106.67 11.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.804 -0.635 . . . . 61.32 109.722 176.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.722 HD22 ' HE2' ' A' ' 31' ' ' MET . 74.2 mt -109.72 149.61 29.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.938 0.399 . . . . 75.340000000000003 111.055 -176.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 5.6 tpp180 -73.55 163.77 27.56 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.88 -0.6 . . . . 71.400000000000006 109.939 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.776 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 33.0 ttmt -46.65 -45.03 18.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.135 -0.939 . . . . 75.219999999999999 111.606 175.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 p -56.43 -50.69 70.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.73 -0.668 . . . . 50.399999999999999 112.464 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -64.81 -51.93 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 73.430000000000007 111.392 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.56 -30.9 67.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.777 0.798 . . . . 43.240000000000002 110.982 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.882 ' HG3' ' HD2' ' A' ' 5' ' ' ARG . 32.4 tt0 -69.91 -26.99 64.42 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.458 -1.246 . . . . 73.409999999999997 111.28 -175.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.439 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 65.4 mtt -96.48 -3.93 42.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.073 0.464 . . . . 74.329999999999998 111.127 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.443 HG22 HG13 ' A' ' 72' ' ' VAL . 70.5 mt -92.17 121.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 64.310000000000002 110.494 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.799 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.8 tt0 -97.68 118.9 35.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.585 -0.524 . . . . 73.209999999999994 109.585 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.7 m -124.29 163.73 23.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.635 -0.711 . . . . 74.319999999999993 110.009 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 1.001 ' HG2' ' HB2' ' A' ' 76' ' ' HIS . 8.2 tp10 -117.54 153.02 33.91 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.675 -0.693 . . . . 71.010000000000005 109.137 179.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.78 55.68 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 71.519999999999996 110.41 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 63.1 81.78 0.2 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.974 -1.012 . . . . 64.439999999999998 111.27 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 1.001 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -103.87 116.42 32.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.715 -0.846 . . . . 73.400000000000006 108.715 175.69 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.479 ' HB2' ' O ' ' A' ' 76' ' ' HIS . 25.1 m-70 72.95 144.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.864 0.727 . . . . 61.420000000000002 110.579 -174.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -110.54 -41.48 4.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.277 0.56 . . . . 64.329999999999998 109.873 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -157.92 150.11 22.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.521 -0.763 . . . . 71.310000000000002 109.074 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -68.57 117.6 10.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.851 0.358 . . . . 75.430000000000007 111.406 -173.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.9 t60 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.347 -0.835 . . . . 74.310000000000002 109.358 173.833 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 110.129 -0.323 . . . . 74.230000000000004 110.129 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -120.41 111.5 17.82 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.201 -0.666 . . . . 53.219999999999999 109.201 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.593 ' HG ' ' HE ' ' A' ' 5' ' ' ARG . 14.7 p -85.18 160.44 19.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.972 0.415 . . . . 62.119999999999997 111.671 -174.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.701 HD13 HG11 ' A' ' 72' ' ' VAL . 47.3 tp -67.39 -31.2 71.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.91 -0.586 . . . . 64.519999999999996 110.646 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.042 ' HG2' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.81 -6.56 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 74.510000000000005 110.852 179.053 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -96.15 0.29 51.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.729 0.776 . . . . 70.340000000000003 109.689 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.27 133.6 34.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.792 . . . . 55.350000000000001 110.541 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -78.86 161.84 26.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 73.409999999999997 111.502 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 t -65.92 132.24 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.265 -0.879 . . . . 74.420000000000002 110.762 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.87 3.67 62.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.954 -0.641 . . . . 72.329999999999998 112.688 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -108.48 146.81 32.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.898 0.38 . . . . 74.109999999999999 110.995 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -104.58 115.21 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 74.420000000000002 110.119 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 HG12 HD23 ' A' ' 74' ' ' LEU . 20.8 m -115.08 153.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.051 -0.522 . . . . 72.049999999999997 110.114 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -108.88 128.33 54.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.484 0.183 . . . . 74.299999999999997 111.128 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.855 ' HA ' HG12 ' A' ' 72' ' ' VAL . 65.9 t -70.89 127.7 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 64.150000000000006 110.666 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.555 HG21 ' HG3' ' A' ' 71' ' ' GLU . 5.6 m -112.6 -41.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.502 0.556 . . . . 54.450000000000003 112.502 -176.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HB3' ' OE1' ' A' ' 71' ' ' GLU . 4.7 mtmt -144.5 153.32 41.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.059 0.457 . . . . 70.340000000000003 111.164 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.549 HD21 HG23 ' A' ' 70' ' ' ILE . 66.6 mt -124.18 124.41 42.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.565 -0.743 . . . . 61.030000000000001 110.257 -177.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.557 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 67.7 m-70 -93.24 152.55 19.12 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.752 -0.462 . . . . 62.25 109.752 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.67 161.25 9.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.64 -0.79 . . . . 70.209999999999994 112.387 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -90.25 55.27 3.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.913 0.863 . . . . 53.399999999999999 111.269 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.16 -64.99 2.71 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.785 -0.643 . . . . 40.140000000000001 113.009 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.3 98.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 63.119999999999997 111.131 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 49.9 tp -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 71.420000000000002 110.498 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 94.2 mttt -59.97 -46.87 88.04 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-O 120.888 0.375 . . . . 75.310000000000002 110.482 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -59.11 -45.26 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 61.130000000000003 110.863 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -55.02 -51.51 66.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 60.32 110.751 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.673 HG22 ' HB ' ' A' ' 33' ' ' ILE . 81.5 mt -56.97 -45.38 83.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 73.450000000000003 111.14 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 61.9 mtm -70.51 -29.24 65.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 73.230000000000004 111.441 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.98 -38.35 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 53.119999999999997 110.945 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.528 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.9 mpp? -70.05 -17.99 63.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.809 0.338 . . . . 74.450000000000003 111.021 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.64 -5.93 14.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.835 -0.697 . . . . 73.109999999999999 112.288 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.673 ' HB ' HG22 ' A' ' 28' ' ' ILE . 18.0 mm -82.39 108.65 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.774 0.321 . . . . 74.209999999999994 110.216 -177.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -142.55 -179.42 6.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.706 -0.398 . . . . 70.540000000000006 110.663 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -75.89 125.67 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.77 0.319 . . . . 64.319999999999993 110.718 -174.577 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.57 7.43 51.29 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.834 -0.698 . . . . 54.299999999999997 113.174 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.65 140.74 35.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.068 0.434 . . . . 71.120000000000005 110.484 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.1 mp0 -90.66 129.78 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.807 -0.442 . . . . 74.329999999999998 109.807 175.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.672 HD12 HG23 ' A' ' 33' ' ' ILE . 59.6 mt -118.84 118.43 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.108 0.48 . . . . 63.200000000000003 110.827 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -80.43 114.85 19.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.61 -0.723 . . . . 51.119999999999997 109.542 171.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -76.02 103.33 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.363 -0.606 . . . . 75.140000000000001 109.363 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -66.26 -56.2 12.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.906 -0.588 . . . . 72.420000000000002 110.821 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -152.52 134.14 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.854 0.359 . . . . 73.140000000000001 111.373 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.74 131.78 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.964 -0.754 . . . . 73.129999999999995 108.964 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.78 145.23 70.2 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.675 -0.239 . . . . 74.239999999999995 111.072 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.15 -18.38 57.91 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.831 2.354 . . . . 74.409999999999997 112.723 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.707 ' H ' HD21 ' A' ' 47' ' ' LEU . 1.9 pt? -106.74 11.2 30.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 64.340000000000003 110.511 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 -77.02 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.697 -0.561 . . . . 72.310000000000002 111.697 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.715 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 1.9 p-10 -125.68 170.57 9.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.923 -0.399 . . . . 71.510000000000005 109.923 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.715 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 59.7 Cg_endo -70.82 139.5 58.09 Favored 'Cis proline' 0 C--N 1.351 0.684 0 C-N-CA 123.809 -1.329 . . . . 63.020000000000003 113.121 3.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.7 mt -94.54 121.17 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.575 -0.739 . . . . 74.209999999999994 109.288 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 51.3 mt-30 -91.97 118.28 30.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 75.319999999999993 110.565 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.408 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.0 pt -120.82 137.11 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.924 -0.58 . . . . 72.129999999999995 110.534 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -95.07 110.42 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 50.149999999999999 111.005 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.9 HG12 ' HG2' ' A' ' 56' ' ' ARG . 52.2 t -145.3 134.14 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 73.400000000000006 110.172 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.9 ' HG2' HG12 ' A' ' 55' ' ' VAL . 35.5 mmt180 67.18 20.86 10.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 122.942 0.497 . . . . 53.439999999999998 110.952 175.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.92 12.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.655 -0.783 . . . . 44.439999999999998 111.558 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -89.05 157.16 18.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.986 0.422 . . . . 75.420000000000002 110.604 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -113.07 110.48 20.53 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.022 -0.733 . . . . 63.439999999999998 109.022 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 31' ' ' MET . 51.0 mt -90.27 149.56 22.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.979 -1.009 . . . . 73.109999999999999 111.271 -169.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 m -100.63 106.73 18.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.824 -0.625 . . . . 71.239999999999995 109.35 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.56 137.7 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.94 0.4 . . . . 73.209999999999994 111.004 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.517 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 17.5 tpt180 -73.46 142.41 46.85 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.809 -0.632 . . . . 61.310000000000002 109.416 177.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.658 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 22.4 pttm -58.17 -34.49 70.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.493 -0.322 . . . . 74.420000000000002 111.52 -176.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -60.17 -44.0 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.98 0.419 . . . . 71.519999999999996 111.105 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 73.439999999999998 110.644 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 5' ' ' ARG . . . -69.24 -20.75 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 73.319999999999993 111.159 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 1.042 ' HG2' ' HG2' ' A' ' 5' ' ' ARG . 40.2 mt-10 -86.55 -17.04 35.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.518 . . . . 74.450000000000003 110.065 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 1.9 tpt -86.75 -16.01 37.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 73.299999999999997 110.309 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.549 HG23 HD21 ' A' ' 18' ' ' LEU . 73.9 mt -100.4 132.06 46.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.841 -0.618 . . . . 74.409999999999997 110.055 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.555 ' HG3' HG21 ' A' ' 16' ' ' VAL . 2.7 pt-20 -106.1 142.83 35.14 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 119.478 -0.889 . . . . 75.209999999999994 110.708 171.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.855 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -135.51 176.17 9.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.925 -1.034 . . . . 62.539999999999999 109.764 -177.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -126.07 144.08 50.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.961 0.41 . . . . 74.549999999999997 110.682 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.471 HD23 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -77.87 110.38 12.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.552 -0.907 . . . . 74.209999999999994 108.552 177.28 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.47 102.71 4.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.313 0.577 . . . . 72.219999999999999 110.677 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -147.25 29.75 0.96 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.775 -0.824 . . . . 62.439999999999998 108.775 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -63.72 -32.04 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.183 -0.917 . . . . 65.5 111.445 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -79.05 84.32 5.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.085 0.469 . . . . 62.109999999999999 110.836 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -168.77 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.566 -0.743 . . . . 71.030000000000001 109.707 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -77.2 127.41 32.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.683 -0.689 . . . . 74.450000000000003 110.445 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.257 -0.878 . . . . 70.420000000000002 109.758 174.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.842 ' HA ' ' HE2' ' A' ' 71' ' ' GLU . 26.2 ttt . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.923 0.392 . . . . 74.129999999999995 110.812 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.632 ' HD2' HG21 ' A' ' 72' ' ' VAL . 70.1 t80 -122.29 110.49 15.75 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.751 -0.833 . . . . 75.120000000000005 108.751 175.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.662 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 13.0 m -83.13 151.3 25.78 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.834 -0.621 . . . . 74.109999999999999 110.937 -175.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 39' ' ' ILE . 42.1 tp -64.58 -23.57 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 75.109999999999999 110.518 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.735 ' HE ' ' HD2' ' A' ' 6' ' ' ASP . 1.1 ptt180 -64.21 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 74.549999999999997 110.571 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.735 ' HD2' ' HE ' ' A' ' 5' ' ' ARG . 2.5 m-20 -88.7 -1.09 57.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.834 -0.621 . . . . 52.509999999999998 111.04 -176.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.22 118.44 26.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.607 -0.516 . . . . 65.420000000000002 109.607 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HA ' HG22 ' A' ' 44' ' ' VAL . 1.3 mptm? -94.84 170.87 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.309 0.576 . . . . 75.329999999999998 112.02 -173.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 5.2 p -60.77 124.28 19.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.255 -0.884 . . . . 72.310000000000002 111.286 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.91 -9.79 60.15 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.762 -0.732 . . . . 61.409999999999997 112.252 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -93.49 157.83 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.082 0.468 . . . . 74.530000000000001 110.567 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -126.86 128.58 46.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.724 . . . . 75.109999999999999 109.721 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.481 HG12 HD23 ' A' ' 74' ' ' LEU . 24.5 m -128.05 177.86 5.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.417 -0.356 . . . . 73.340000000000003 110.733 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -132.38 126.95 34.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.953 -0.567 . . . . 52.43 110.332 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.876 ' HA ' HG12 ' A' ' 72' ' ' VAL . 60.8 t -78.88 125.68 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.981 -0.377 . . . . 71.109999999999999 109.981 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.94 -44.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.144 -0.622 . . . . 70.129999999999995 112.462 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.32 137.56 40.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.568 0.699 . . . . 62.219999999999999 111.643 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 70' ' ' ILE . 46.8 mt -100.89 119.1 38.2 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.288 -0.869 . . . . 65.209999999999994 108.788 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 69' ' ' MET . 52.6 m170 -88.36 -2.92 58.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.752 0.31 . . . . 53.109999999999999 111.58 -173.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.9 165.9 40.44 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.696 -0.764 . . . . 75.25 112.273 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.761 HG23 ' H ' ' A' ' 22' ' ' GLY . 1.6 m -85.33 -174.86 5.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.612 -0.514 . . . . 61.340000000000003 109.612 177.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.761 ' H ' HG23 ' A' ' 21' ' ' THR . . . -50.65 -43.49 46.46 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.666 0.627 . . . . 45.329999999999998 114.666 -173.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.148 0.474 . . . . 72.019999999999996 110.882 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' HE2' ' A' ' 69' ' ' MET . 4.2 mm? -72.64 -46.49 53.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 51.530000000000001 109.977 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB3' ' HE1' ' A' ' 29' ' ' MET . 99.5 mttt -56.09 -53.71 53.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 72.329999999999998 111.084 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -64.8 -33.66 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.510000000000005 111.059 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpt180 -61.88 -46.99 86.98 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.141 0.496 . . . . 70.530000000000001 110.149 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.698 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 63.1 mt -71.41 -37.06 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.555 -0.748 . . . . 65.540000000000006 110.881 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.575 ' HE1' ' HB3' ' A' ' 25' ' ' LYS . 67.9 mtt -65.31 -43.24 91.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 71.5 111.173 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.22 -33.15 70.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.405 0.621 . . . . 61.039999999999999 110.279 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.698 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 3.0 ttp -67.9 -24.21 65.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.063 -0.972 . . . . 60.450000000000003 110.842 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.82 -15.75 16.47 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.089 -0.577 . . . . 51.149999999999999 112.072 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.606 ' HB ' HG22 ' A' ' 28' ' ' ILE . 18.2 mt -82.16 115.4 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 51.119999999999997 110.183 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 p -131.71 -176.23 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.988 -0.551 . . . . 55.420000000000002 110.997 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -81.13 128.88 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.06 -0.348 . . . . 73.099999999999994 110.06 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.03 27.45 37.39 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.035 -0.602 . . . . 72.040000000000006 112.62 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.83 149.26 28.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.89 0.345 . . . . 75.230000000000004 110.516 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.46 120.81 26.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.661 -0.7 . . . . 64.409999999999997 109.953 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 4' ' ' LEU . 38.1 mm -112.63 114.48 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.032 -0.531 . . . . 74.530000000000001 110.773 -175.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 90.6 t80 -104.18 124.55 49.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 74.310000000000002 109.959 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 mm -91.1 118.85 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 74.349999999999994 110.694 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 37.2 mmt180 -74.55 -56.73 4.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.747 -0.66 . . . . 74.239999999999995 110.506 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 73.4 tttt -147.85 137.67 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.629 . . . . 75.230000000000004 111.172 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 8' ' ' LYS . 61.4 t -113.39 123.49 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.791 -0.818 . . . . 73.340000000000003 108.791 170.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -71.8 144.47 88.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.591 -0.277 . . . . 45.539999999999999 110.629 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 38.1 Cg_exo -62.45 -22.15 73.68 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.949 2.432 . . . . 73.340000000000003 112.287 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -80.24 -18.36 49.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.852 -0.613 . . . . 72.400000000000006 109.819 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.06 -43.02 1.54 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.649 -0.705 . . . . 55.25 111.657 -178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.687 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.3 p-10 -155.66 167.94 13.21 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.443 -0.577 . . . . 74.030000000000001 109.443 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.687 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 56.6 Cg_endo -70.43 147.59 86.39 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.888 -1.297 . . . . 54.439999999999998 113.618 2.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.35 132.16 39.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.345 -0.843 . . . . 63.229999999999997 109.048 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -98.5 121.57 40.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.245 . . . . 74.040000000000006 110.517 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.586 HG21 HG23 ' A' ' 39' ' ' ILE . 2.7 mp -120.79 158.37 23.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.712 -0.477 . . . . 62.409999999999997 109.712 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 53' ' ' ILE . 27.3 t-20 -118.93 110.14 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.66 -0.496 . . . . 61.409999999999997 109.66 173.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.59 HG12 ' HG2' ' A' ' 56' ' ' ARG . 45.6 t -130.06 129.16 65.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.232 -0.655 . . . . 64.519999999999996 109.232 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.59 ' HG2' HG12 ' A' ' 55' ' ' VAL . 5.0 mmt85 63.98 19.73 11.88 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.195 0.521 . . . . 74.510000000000005 110.402 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.28 7.24 87.93 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.938 -0.573 . . . . 63.439999999999998 112.031 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 130.16 54.74 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.142 -0.318 . . . . 71.540000000000006 110.142 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.08 135.34 42.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.729 -0.471 . . . . 52.140000000000001 109.729 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.618 HD13 ' HG2' ' A' ' 31' ' ' MET . 84.6 mt -126.76 135.08 50.6 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.807 -0.633 . . . . 73.230000000000004 110.8 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -98.27 106.6 18.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 74.540000000000006 109.79 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.591 HD13 ' HE2' ' A' ' 31' ' ' MET . 61.6 tp -106.49 141.94 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.113 0.482 . . . . 54.0 110.532 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 139.26 38.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.775 -0.648 . . . . 73.010000000000005 109.817 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 49' ' ' ASP . 23.5 pttm -60.27 -30.76 69.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.507 -0.315 . . . . 70.329999999999998 111.312 -175.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 m -60.05 -39.35 85.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 74.439999999999998 110.865 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.553 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -76.11 -33.69 59.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.06 0.457 . . . . 74.209999999999994 110.573 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.29 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.053 -0.521 . . . . 72.200000000000003 111.434 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.662 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 11.6 pt-20 -92.48 5.77 49.58 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 62.350000000000001 112.087 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 21.4 ptm -114.68 14.7 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.306 0.574 . . . . 73.129999999999995 110.347 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 66' ' ' ALA . 39.2 mm -116.46 134.94 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 74.219999999999999 110.756 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.842 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 10.7 tp10 -91.52 115.39 28.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.965 -0.561 . . . . 65.109999999999999 109.593 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.876 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.1 m -132.08 169.66 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.916 0.389 . . . . 50.539999999999999 110.824 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.86 166.0 21.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.251 -0.432 . . . . 73.150000000000006 110.094 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.481 HD23 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -83.83 133.23 34.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.929 0.395 . . . . 74.340000000000003 110.98 -177.683 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.839 ' HE2' ' HD1' ' A' ' 76' ' ' HIS . 1.4 tm-20 -94.68 -164.48 1.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.602 -0.888 . . . . 65.230000000000004 108.602 174.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.839 ' HD1' ' HE2' ' A' ' 75' ' ' GLU . 79.3 m80 -62.35 108.18 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 74.420000000000002 110.528 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -87.08 73.25 9.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.605 0.717 . . . . 64.540000000000006 111.109 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -110.17 90.46 3.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.936 0.874 . . . . 70.040000000000006 110.112 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -119.56 -10.68 9.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.409 -0.814 . . . . 73.150000000000006 109.607 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -83.16 -21.05 33.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 65.409999999999997 109.193 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 C--O 1.248 0.983 0 CA-C-N 115.051 -0.977 . . . . 62.5 109.034 177.118 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.646 ' HG3' ' HB2' ' A' ' 71' ' ' GLU . 25.7 ttt . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.821 0.343 . . . . 75.200000000000003 110.502 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -102.04 110.95 23.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.033 -0.729 . . . . 70.219999999999999 109.033 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -76.64 141.16 41.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.545 -0.298 . . . . 75.239999999999995 111.057 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 62.6 tp -60.48 -33.01 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 73.530000000000001 110.258 176.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.47 ' HD3' ' HA2' ' A' ' 48' ' ' GLY . 0.7 OUTLIER -67.07 -28.76 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 74.299999999999997 110.483 177.001 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.62 -13.3 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 75.319999999999993 111.059 -173.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 -174.1 2.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.942 -0.572 . . . . 74.019999999999996 110.534 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -133.18 170.02 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.515 0.198 . . . . 73.150000000000006 110.575 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.6 p -74.58 147.75 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.479 -0.328 . . . . 61.140000000000001 110.855 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.51 0.08 88.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.969 -0.634 . . . . 22.129999999999999 112.278 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -100.17 143.45 30.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 71.319999999999993 110.519 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 m -104.99 111.71 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 72.319999999999993 110.337 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.456 HG12 HD13 ' A' ' 74' ' ' LEU . 33.7 m -112.73 160.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.083 -0.508 . . . . 64.400000000000006 110.87 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 9.3 ttmt -121.2 134.45 55.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 73.340000000000003 109.621 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.56 ' HA ' HG12 ' A' ' 72' ' ' VAL . 47.0 t -70.83 121.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 121.126 -0.23 . . . . 53.109999999999999 110.491 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -32.03 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.137 0.421 . . . . 64.239999999999995 112.137 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.753 ' HZ1' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -138.34 123.94 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.727 -0.389 . . . . 70.25 111.609 -178.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.581 HD21 HD13 ' A' ' 70' ' ' ILE . 98.9 mt -103.75 102.87 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.544 . . . . 74.120000000000005 109.836 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 69' ' ' MET . 26.4 m-70 -78.76 173.14 12.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.876 0.369 . . . . 75.150000000000006 110.126 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.635 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 96.81 176.87 35.25 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.271 -0.731 . . . . 44.130000000000003 111.271 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -133.3 118.95 19.14 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.164 0.482 . . . . 61.219999999999999 111.062 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.07 -90.74 0.09 OUTLIER Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.934 -0.575 . . . . 65.109999999999999 113.748 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.14 57.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.097 0.406 . . . . 64.310000000000002 112.097 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.55 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 62.520000000000003 110.858 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -59.72 -53.2 60.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.685 -0.689 . . . . 44.240000000000002 110.933 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -57.69 -40.3 79.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.717 -0.674 . . . . 72.319999999999993 110.885 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 75.439999999999998 110.443 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.696 HG22 ' HB ' ' A' ' 33' ' ' ILE . 59.1 mt -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.725 -0.67 . . . . 61.32 111.585 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 69.3 mtm -66.31 -34.28 77.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.995 0.369 . . . . 75.219999999999999 111.995 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.04 -28.36 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 63.340000000000003 110.999 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.664 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 67.9 mtm -81.11 -4.14 54.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 72.040000000000006 111.054 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.49 -1.24 34.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.067 -0.587 . . . . 63.219999999999999 112.112 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.696 ' HB ' HG22 ' A' ' 28' ' ' ILE . 29.7 mt -96.22 102.45 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 74.319999999999993 110.986 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.518 ' HA ' HD11 ' A' ' 18' ' ' LEU . 9.0 t -139.11 165.56 26.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.634 -0.506 . . . . 75.239999999999995 109.634 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.36 124.86 21.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.309 0.576 . . . . 71.530000000000001 110.433 -177.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.54 -31.57 5.9 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.415 -0.811 . . . . 54.399999999999999 111.548 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.1 151.82 24.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.792 0.329 . . . . 64.239999999999995 110.503 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -102.39 160.98 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 64.430000000000007 110.907 179.05 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.575 HD12 HG23 ' A' ' 33' ' ' ILE . 76.3 mt -135.14 126.47 46.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.554 -0.748 . . . . 60.509999999999998 110.004 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.446 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 89.0 t80 -89.36 116.24 27.42 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.027 -0.731 . . . . 71.129999999999995 109.027 171.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.41 123.19 37.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.972 0.415 . . . . 55.539999999999999 111.117 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 14.4 mmt85 -90.34 -57.41 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.828 -0.624 . . . . 74.310000000000002 111.326 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 64.1 mmtt -140.71 114.65 9.05 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.16 0.43 . . . . 73.319999999999993 112.16 -174.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.0 t -113.64 124.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.558 -0.904 . . . . 71.549999999999997 108.558 169.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.49 144.1 93.91 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 120.974 -0.29 . . . . 74.340000000000003 110.282 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 53.2 Cg_exo -56.83 -27.73 73.43 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.899 2.399 . . . . 70.25 112.272 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tt -85.12 -44.62 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 71.340000000000003 109.642 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA2' ' HD3' ' A' ' 5' ' ' ARG . . . 162.9 -86.85 0.11 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.987 -0.625 . . . . 73.510000000000005 112.124 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.661 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 6.2 p-10 -84.44 151.24 58.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.518 0.199 . . . . 74.150000000000006 110.559 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -88.34 166.33 40.62 Favored 'Cis proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.372 -1.512 . . . . 71.200000000000003 112.613 -0.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.432 HG22 HG23 ' A' ' 53' ' ' ILE . 4.3 mp -117.78 102.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 70.329999999999998 109.823 178.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.575 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 93.7 mt-30 -89.13 126.99 35.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.852 -0.613 . . . . 71.400000000000006 109.887 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.458 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 pt -135.74 151.51 29.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.986 -0.552 . . . . 64.329999999999998 110.579 -175.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -110.68 110.81 21.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 64.510000000000005 109.376 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.63 HG12 ' HG3' ' A' ' 56' ' ' ARG . 38.6 t -114.27 118.6 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 44.340000000000003 110.356 -177.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HG3' HG12 ' A' ' 55' ' ' VAL . 36.7 mtp180 69.34 -7.69 0.8 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.662 -0.699 . . . . 74.239999999999995 112.124 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.85 -19.43 5.83 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.582 -0.607 . . . . 63.25 111.582 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -90.64 132.68 35.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.11 0.481 . . . . 74.329999999999998 110.731 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -90.46 124.0 34.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 73.319999999999993 110.231 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.5 156.95 34.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.527 -0.76 . . . . 71.340000000000003 110.583 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -127.62 110.72 12.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.69 -0.485 . . . . 72.430000000000007 109.69 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.565 HD22 ' HE2' ' A' ' 31' ' ' MET . 36.8 mt -106.46 159.36 16.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 74.329999999999998 110.785 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.67 168.98 11.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.068 -0.514 . . . . 71.340000000000003 110.4 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -58.97 -42.2 89.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 61.450000000000003 110.785 -176.195 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 m -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 111.815 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -72.36 -44.98 61.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.047 0.451 . . . . 60.0 111.031 -178.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 4' ' ' LEU . . . -63.52 -33.86 76.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.309 0.576 . . . . 75.310000000000002 111.384 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.66 -13.39 51.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.879 -0.601 . . . . 72.129999999999995 111.386 -174.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptm -97.33 -1.02 45.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.043 0.449 . . . . 72.430000000000007 110.37 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.581 HD13 HD21 ' A' ' 18' ' ' LEU . 37.0 mm -105.92 126.81 61.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.903 0.382 . . . . 72.219999999999999 110.474 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.748 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 2.3 tt0 -97.24 125.29 41.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.693 . . . . 72.140000000000001 109.461 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 15' ' ' VAL . 24.6 m -127.07 160.32 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 62.509999999999998 111.414 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HE2' ' HZ3' ' A' ' 14' ' ' LYS . 22.2 tt0 -104.54 124.8 49.94 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.003 -0.999 . . . . 74.219999999999999 109.792 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.578 HD12 ' H ' ' A' ' 75' ' ' GLU . 14.0 tp -98.54 141.15 31.74 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 109.686 -0.487 . . . . 65.209999999999994 109.686 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.578 ' H ' HD12 ' A' ' 74' ' ' LEU . 5.1 tm-20 -49.82 116.66 1.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.729 0.643 . . . . 72.450000000000003 110.08 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -130.73 117.14 18.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 74.540000000000006 111.071 -174.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 50.5 m80 -145.48 164.25 32.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.725 -0.671 . . . . 64.239999999999995 109.223 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 42.6 m80 71.06 -5.94 1.41 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.056 0.543 . . . . 65.430000000000007 111.054 -176.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' A' ' 77' ' ' HIS . 46.7 t-80 -90.26 66.56 6.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.255 -0.646 . . . . 64.120000000000005 109.255 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -68.85 -30.32 68.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.727 -0.67 . . . . 75.329999999999998 110.357 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.311 -0.852 . . . . 64.439999999999998 109.134 176.233 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.67 ' HE3' ' HB3' ' A' ' 3' ' ' SER . 27.7 ttt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.721 0.296 . . . . 72.409999999999997 110.331 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.784 ' H ' ' HE2' ' A' ' 71' ' ' GLU . 40.6 t80 -130.71 100.26 5.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.864 -0.791 . . . . 75.239999999999995 108.864 173.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.67 ' HB3' ' HE3' ' A' ' 1' ' ' MET . 80.1 p -90.37 172.5 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.97 -0.559 . . . . 15.44 111.179 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.561 HD13 HG11 ' A' ' 72' ' ' VAL . 27.9 tp -64.12 -23.48 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 44.100000000000001 110.039 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -83.57 -8.44 59.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.874 -0.603 . . . . 71.430000000000007 110.672 177.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -90.5 -11.29 40.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.842 0.353 . . . . 71.230000000000004 110.254 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.89 172.2 14.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 72.140000000000001 110.279 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 2.9 mptp? -125.01 156.23 38.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.613 -0.267 . . . . 74.299999999999997 110.294 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 p -64.15 129.51 40.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 71.010000000000005 110.344 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.79 43.63 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.814 -0.708 . . . . 73.420000000000002 112.147 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.37 147.93 39.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 60.439999999999998 111.227 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -109.07 121.02 44.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.841 -0.618 . . . . 63.539999999999999 109.892 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.5 m -120.75 172.5 7.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.287 -0.415 . . . . 71.150000000000006 110.301 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 45.1 mtmt -131.83 150.68 52.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.851 0.358 . . . . 71.030000000000001 110.457 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.688 ' HB ' ' HA ' ' A' ' 35' ' ' ARG . 38.8 t -80.31 131.17 34.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.801 -0.636 . . . . 74.120000000000005 110.496 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.4 m -120.11 -41.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.981 0.363 . . . . 72.150000000000006 111.981 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -140.42 139.18 35.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.766 0.317 . . . . 64.25 110.158 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.09 116.4 29.08 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.903 -0.319 . . . . 34.229999999999997 110.831 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 69' ' ' MET . 9.2 m-70 -86.67 154.13 21.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.45 -0.574 . . . . 71.219999999999999 109.45 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.08 164.04 10.44 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.275 -0.964 . . . . 75.329999999999998 112.778 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.28 33.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.876 0.369 . . . . 63.439999999999998 111.517 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.27 -64.87 3.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.111 -0.566 . . . . 63.409999999999997 112.6 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.61 92.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.62 0.248 . . . . 72.540000000000006 111.293 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.491 ' O ' HG13 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -61.25 -45.22 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.997 -0.371 . . . . 73.239999999999995 109.997 178.208 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -58.66 -47.72 83.48 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.978 -0.556 . . . . 72.239999999999995 110.96 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.478 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 1.9 tmt_? -63.13 -36.03 82.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 72.530000000000001 110.139 -178.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.02 -41.88 97.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 54.539999999999999 110.418 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 24' ' ' LEU . 76.0 mt -59.67 -48.97 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 55.100000000000001 110.323 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.25 -30.46 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.498 -0.773 . . . . 64.549999999999997 111.047 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.94 -35.62 80.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.056 -0.52 . . . . 61.200000000000003 111.284 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.488 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 65.5 mtm -74.08 -19.73 60.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 73.430000000000007 111.25 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.63 -7.81 11.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.944 -0.646 . . . . 23.239999999999998 112.366 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.561 HG23 HD12 ' A' ' 39' ' ' ILE . 4.2 mp -83.02 96.41 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.24 0.543 . . . . 63.340000000000003 110.084 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 p -118.31 161.16 20.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.686 -0.688 . . . . 53.240000000000002 110.1 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.688 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 16.2 ptt180 -64.52 141.24 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 73.209999999999994 110.537 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.66 -10.53 70.68 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.92 -0.657 . . . . 64.109999999999999 112.5 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.51 143.8 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.846 0.355 . . . . 64.129999999999995 110.838 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 1.1 mp0 -84.86 130.9 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.631 -0.713 . . . . 73.5 110.543 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.804 HG12 HG23 ' A' ' 55' ' ' VAL . 49.9 mt -120.53 115.07 45.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.895 -0.593 . . . . 75.209999999999994 110.016 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 88.6 t80 -93.87 121.57 35.47 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 73.150000000000006 109.849 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.2 mm -75.4 102.13 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.784 -0.821 . . . . 73.420000000000002 108.784 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.634 ' HD3' ' HG2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -89.61 -54.44 4.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.073 -0.512 . . . . 74.019999999999996 111.029 -170.787 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.634 ' HG2' ' HD3' ' A' ' 42' ' ' ARG . 73.5 mmtt -137.61 140.48 40.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 74.439999999999998 111.228 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.24 116.26 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.907 -0.775 . . . . 65.019999999999996 108.907 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.56 143.15 98.58 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 55.130000000000003 111.208 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.61 79.47 1.21 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.035 2.49 . . . . 73.109999999999999 111.63 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 tt -179.26 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.194 -1.039 . . . . 75.340000000000003 108.194 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.02 -30.31 2.96 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.043 -0.981 . . . . 72.420000000000002 111.268 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.513 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.7 p-10 -148.59 157.44 41.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.436 -0.579 . . . . 70.540000000000006 109.436 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 69.1 Cg_endo -86.28 170.29 42.44 Favored 'Cis proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.44 -1.483 . . . . 71.329999999999998 112.901 -0.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -96.25 116.63 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.847 -0.797 . . . . 74.140000000000001 108.847 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.559 ' HB3' ' HB2' ' A' ' 43' ' ' LYS . 35.7 tt0 -89.37 112.82 24.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.286 0.565 . . . . 74.420000000000002 109.864 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.575 HD12 HD21 ' A' ' 62' ' ' LEU . 33.1 pt -121.35 161.23 21.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 65.5 111.461 -173.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 9.2 m120 -111.36 110.96 21.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 72.150000000000006 110.066 174.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.804 HG23 HG12 ' A' ' 39' ' ' ILE . 28.9 t -125.81 135.72 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.354 -0.61 . . . . 52.530000000000001 109.354 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.605 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmt85 67.5 -70.95 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.8 0.687 . . . . 60.549999999999997 110.316 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.61 21.78 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.644 -0.982 . . . . 53.109999999999999 110.644 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -119.72 154.97 33.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.881 0.372 . . . . 61.539999999999999 111.443 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.4 110.53 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.524 -0.917 . . . . 75.109999999999999 108.524 167.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 HD12 ' HB ' ' A' ' 55' ' ' VAL . 97.3 mt -113.59 150.19 33.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.778 0.323 . . . . 71.010000000000005 110.955 -175.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 p -113.98 110.78 20.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 54.119999999999997 110.663 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.575 HD21 HD12 ' A' ' 53' ' ' ILE . 2.5 mm? -107.15 133.54 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.869 -0.605 . . . . 64.299999999999997 110.135 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HD3' HH11 ' A' ' 63' ' ' ARG . 0.2 OUTLIER -73.58 150.61 41.32 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.796 -0.361 . . . . 73.310000000000002 110.028 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -60.79 -31.75 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.437 -0.347 . . . . 70.230000000000004 110.39 -177.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -61.66 -43.07 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 72.140000000000001 110.839 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.96 -39.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.041 0.448 . . . . 45.149999999999999 110.53 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.2 77.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 72.209999999999994 111.583 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 11.8 pt-20 -79.85 4.2 17.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.939 0.348 . . . . 72.329999999999998 111.939 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 16.2 ptm -125.11 8.48 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 74.329999999999998 110.619 175.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.516 ' O ' ' HA ' ' A' ' 3' ' ' SER . 76.5 mt -98.27 117.56 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.501 -0.555 . . . . 54.439999999999998 109.501 173.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.784 ' HE2' ' H ' ' A' ' 2' ' ' PHE . 13.2 tp10 -82.84 121.38 26.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.595 -0.521 . . . . 63.43 109.595 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.561 HG11 HD13 ' A' ' 4' ' ' LEU . 28.6 m -125.53 166.39 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 73.439999999999998 112.076 -176.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -128.85 149.39 50.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.069 -0.969 . . . . 73.299999999999997 109.406 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.37 162.74 22.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.614 0.721 . . . . 55.399999999999999 112.548 -172.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.08 172.9 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.379 -1.282 . . . . 72.040000000000006 111.633 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -140.33 87.9 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 52.520000000000003 110.365 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -81.65 150.24 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.918 -0.583 . . . . 73.150000000000006 109.646 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -100.47 136.05 40.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.368 -0.378 . . . . 62.119999999999997 110.797 -173.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -66.82 154.53 40.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 72.239999999999995 111.211 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -83.53 -20.69 33.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.793 -0.639 . . . . 73.120000000000005 111.633 -172.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.295 -0.86 . . . . 65.25 110.437 -178.102 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HE3' ' HB3' ' A' ' 3' ' ' SER . 26.3 ptm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.89 -0.411 . . . . 62.130000000000003 109.89 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.844 ' HZ ' HD21 ' A' ' 74' ' ' LEU . 60.0 t80 -117.51 88.07 2.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.315 -0.624 . . . . 72.420000000000002 109.315 175.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.652 ' HG ' ' HA ' ' A' ' 68' ' ' GLU . 80.5 p -118.01 -177.33 3.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.727 -0.67 . . . . 63.049999999999997 110.759 -176.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.515 HD22 HD11 ' A' ' 53' ' ' ILE . 21.2 tp -66.18 -18.86 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.514 0.673 . . . . 74.349999999999994 109.637 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' HB3' ' OG ' ' A' ' 3' ' ' SER . 3.0 tpm_? -70.16 -34.99 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 63.119999999999997 110.623 176.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -88.77 -18.2 28.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.922 -0.581 . . . . 64.340000000000003 111.6 -174.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.546 -0.297 . . . . 74.340000000000003 111.452 -177.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -119.07 161.4 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 71.329999999999998 111.25 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.527 ' HB3' HG21 ' A' ' 44' ' ' VAL . 9.4 p -73.6 146.97 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 65.439999999999998 110.362 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.8 -14.23 65.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.94 -0.648 . . . . 54.119999999999997 111.613 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -94.04 158.95 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 72.340000000000003 110.354 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 24.4 m -119.12 119.72 35.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.973 -0.558 . . . . 75.099999999999994 109.927 177.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.641 HG12 HD23 ' A' ' 74' ' ' LEU . 31.8 m -120.72 171.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.09 -0.505 . . . . 74.310000000000002 109.933 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -129.51 135.0 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.284 -0.265 . . . . 53.549999999999997 110.284 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.699 HG22 HG23 ' A' ' 33' ' ' ILE . 61.9 t -75.77 117.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 63.229999999999997 110.196 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.31 -29.68 2.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.911 0.708 . . . . 72.409999999999997 112.911 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 77.4 tttt -141.74 139.37 32.83 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.727 0.299 . . . . 73.349999999999994 110.346 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.95 113.55 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.381 -0.372 . . . . 63.140000000000001 110.556 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.17 168.99 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.259 -0.428 . . . . 72.230000000000004 110.334 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.88 173.81 17.45 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.739 -0.743 . . . . 64.340000000000003 112.068 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -76.15 -79.02 0.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.775 0.321 . . . . 72.120000000000005 111.356 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.51 -55.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.89 -0.671 . . . . 70.299999999999997 111.594 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.28 -32.93 73.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.627 0.251 . . . . 74.540000000000006 110.857 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.23 -50.47 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 64.209999999999994 110.358 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 47.0 mtpt -56.52 -53.34 58.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 72.519999999999996 110.758 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.668 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 94.9 mtt180 -65.42 -34.36 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.541 . . . . 74.450000000000003 112.142 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -56.45 -42.95 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.203 0.525 . . . . 74.219999999999999 110.202 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.655 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 77.1 mt -77.2 -52.3 16.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.399 -0.819 . . . . 74.540000000000006 111.439 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.668 ' HG3' ' HA ' ' A' ' 26' ' ' ARG . 4.8 ppp? -64.34 -30.5 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.022 -0.535 . . . . 71.040000000000006 111.741 -174.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.67 -21.67 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 74.010000000000005 111.152 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.655 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 69.5 mtm -89.34 7.01 37.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 70.430000000000007 111.191 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 -1.12 37.32 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.477 -0.868 . . . . 52.509999999999998 112.45 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.858 ' HA ' ' HG ' ' A' ' 37' ' ' CYS . 24.0 mm -86.57 73.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.106 0.479 . . . . 72.420000000000002 109.791 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' ARG . 35.2 p -101.76 22.79 12.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.446 0.536 . . . . 75.120000000000005 112.446 -170.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 34' ' ' THR . 63.7 ttt180 71.46 118.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.734 0.646 . . . . 75.549999999999997 110.556 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.28 18.2 37.17 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.946 -0.862 . . . . 43.450000000000003 110.946 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.858 ' HG ' ' HA ' ' A' ' 33' ' ' ILE . 5.4 p -109.17 132.5 54.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.214 -0.493 . . . . 71.329999999999998 110.035 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 139.24 38.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.177 0.513 . . . . 73.120000000000005 110.905 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.547 HD13 HD13 ' A' ' 53' ' ' ILE . 45.5 mm -115.41 114.71 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.287 -0.87 . . . . 63.009999999999998 110.422 -177.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.699 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t80 -92.62 100.78 13.23 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.695 -0.854 . . . . 71.430000000000007 108.695 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.5 ' HA ' HG22 ' A' ' 53' ' ' ILE . 21.8 mt -71.92 105.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.051 0.453 . . . . 74.219999999999999 109.906 -177.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 42' ' ' ARG . 12.3 tpp85 -80.96 -55.19 4.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.69 -0.686 . . . . 62.420000000000002 111.832 -172.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.2 138.15 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.741 -0.384 . . . . 63.020000000000003 111.558 -168.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 9' ' ' CYS . 60.6 t -115.83 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.563 -0.532 . . . . 75.310000000000002 109.563 175.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.78 146.51 95.66 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.384 -0.371 . . . . 64.409999999999997 111.283 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 36.5 Cg_exo -61.66 -16.38 48.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.395 2.73 . . . . 54.43 113.091 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.4 mt -85.83 0.37 53.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.563 . . . . 74.510000000000005 110.14 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.15 -32.11 7.5 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.515 -0.766 . . . . 71.230000000000004 111.278 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.78 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 18.9 p-10 -155.68 167.52 14.06 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.898 -0.779 . . . . 63.329999999999998 108.898 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.78 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.3 Cg_endo -73.71 153.93 99.37 Favored 'Cis proline' 0 C--O 1.235 0.329 0 C-N-CA 123.209 -1.579 . . . . 72.409999999999997 112.805 2.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.2 mt -94.23 110.9 24.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.57 -0.9 . . . . 73.439999999999998 108.57 174.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -85.89 112.43 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.547 -0.751 . . . . 72.400000000000006 109.675 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.547 HD13 HD13 ' A' ' 39' ' ' ILE . 39.2 pt -120.79 150.33 23.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.065 0.459 . . . . 73.329999999999998 110.777 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.699 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 13.3 m120 -96.88 110.34 22.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 51.229999999999997 110.47 178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.642 HG12 ' HG2' ' A' ' 56' ' ' ARG . 64.7 t -113.94 117.67 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.285 -0.871 . . . . 60.310000000000002 109.548 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.642 ' HG2' HG12 ' A' ' 55' ' ' VAL . 6.3 mmm180 65.09 10.55 6.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.339 -0.846 . . . . 75.510000000000005 111.001 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.13 40.37 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 64.109999999999999 112.343 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 93.2 m-85 -98.17 156.69 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.61 0.205 . . . . 74.239999999999995 110.662 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.529 ' HG3' HD22 ' A' ' 54' ' ' ASN . 24.4 mp0 -102.98 115.99 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.813 -0.44 . . . . 72.099999999999994 109.813 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD23 ' HB3' ' A' ' 31' ' ' MET . 2.4 pp -133.21 154.59 50.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.087 -0.338 . . . . 72.540000000000006 110.087 177.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.682 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 14.0 m -107.57 134.73 50.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 61.130000000000003 112.281 -171.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -112.56 142.02 45.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.793 -0.639 . . . . 73.019999999999996 110.31 173.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -78.79 159.71 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.655 -0.498 . . . . 64.340000000000003 109.655 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -57.57 -38.39 74.75 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 111.609 0.225 . . . . 60.109999999999999 111.609 -175.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 48.7 m -73.43 -35.6 65.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 42.299999999999997 111.017 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.88 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 33.549999999999997 110.787 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.04 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.366 0.603 . . . . 73.219999999999999 110.948 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.652 ' HA ' ' HG ' ' A' ' 3' ' ' SER . 39.7 tt0 -74.81 -17.32 60.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.146 -0.934 . . . . 65.400000000000006 110.904 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.5 mmt -81.48 -10.2 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.255 0.55 . . . . 64.230000000000004 110.072 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.6 mt -98.18 106.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 74.299999999999997 111.048 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 14.2 tp10 -77.3 117.73 19.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 65.010000000000005 109.15 176.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.528 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 35.1 m -123.64 179.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.171 0.51 . . . . 72.219999999999999 111.85 -175.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.08 144.88 23.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.15 -0.932 . . . . 71.230000000000004 109.054 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.844 HD21 ' HZ ' ' A' ' 2' ' ' PHE . 1.2 mm? -80.36 140.54 36.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 60.0 110.884 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -85.24 -10.14 56.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.944 0.402 . . . . 73.230000000000004 110.185 175.205 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -94.96 91.51 6.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 72.129999999999995 110.219 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -125.85 152.37 45.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.344 -0.389 . . . . 74.140000000000001 110.601 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -127.93 119.54 25.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.443 -0.344 . . . . 74.219999999999999 111.522 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 70.53 -2.06 2.33 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.252 -0.886 . . . . 74.349999999999994 111.997 173.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -150.51 105.82 3.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.997 -0.742 . . . . 70.150000000000006 108.997 175.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.336 -0.84 . . . . 74.439999999999998 109.882 -176.244 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 121.06 0.457 . . . . 75.200000000000003 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -111.79 111.3 22.16 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.74 -0.837 . . . . 74.549999999999997 108.74 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.673 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 6.1 m -96.2 159.3 15.03 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 110.791 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 1.006 HD21 HG11 ' A' ' 72' ' ' VAL . 2.3 tm? -61.11 -39.46 90.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.771 -0.826 . . . . 71.150000000000006 108.771 174.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.597 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 37.9 ttp180 -44.8 -26.74 0.43 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.3 -1.318 . . . . 55.240000000000002 112.25 171.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -100.09 -0.55 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.475 -0.33 . . . . 73.129999999999995 111.762 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.38 150.93 39.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 74.239999999999995 110.709 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -99.5 165.18 11.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 64.049999999999997 111.321 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.5 p -78.62 26.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.674 -0.694 . . . . 72.230000000000004 112.539 -173.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.34 19.55 0.93 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.934 -0.651 . . . . 44.530000000000001 111.672 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -115.45 143.06 45.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.702 0.287 . . . . 74.109999999999999 110.912 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -89.27 118.49 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.449 -0.574 . . . . 53.539999999999999 109.449 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.712 HG22 HD22 ' A' ' 4' ' ' LEU . 27.5 m -114.18 150.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.09 0.472 . . . . 54.109999999999999 110.631 -177.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 30.4 ttpt -128.89 119.33 24.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.898 -0.592 . . . . 73.019999999999996 109.63 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.4 t -73.53 128.76 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 62.109999999999999 109.734 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.563 HG21 ' HG2' ' A' ' 71' ' ' GLU . 11.0 m -114.62 -40.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.39 -0.524 . . . . 74.230000000000004 112.14 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.665 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 17.5 ttpt -140.55 151.78 45.01 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.021 -0.272 . . . . 74.310000000000002 110.52 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.485 HD21 HG23 ' A' ' 70' ' ' ILE . 94.4 mt -123.61 114.8 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 110.117 -0.327 . . . . 63.350000000000001 110.117 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -89.04 167.95 12.74 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.485 -0.561 . . . . 71.439999999999998 109.485 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.54 -177.82 18.92 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.465 -0.874 . . . . 53.439999999999998 112.668 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -89.07 31.04 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.467 0.651 . . . . 73.239999999999995 110.935 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' HA2' ' HD2' ' A' ' 25' ' ' LYS . . . 79.58 -59.67 4.39 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.804 -0.634 . . . . 74.400000000000006 113.519 175.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.4 -38.32 74.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 62.009999999999998 111.138 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 28' ' ' ILE . 2.0 tm? -75.6 -46.19 33.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.088 -0.506 . . . . 73.120000000000005 110.455 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -67.05 -30.4 70.45 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 74.019999999999996 111.586 -176.377 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -72.8 -38.29 67.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.362 . . . . 75.219999999999999 110.089 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -57.27 -36.73 71.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.867 -0.606 . . . . 71.010000000000005 110.328 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.643 HG22 ' HB ' ' A' ' 33' ' ' ILE . 64.2 mt -63.95 -49.13 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.694 -0.685 . . . . 64.129999999999995 110.629 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.749 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 70.9 mtm -67.9 -33.64 75.1 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 55.43 111.283 -178.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.66 -23.94 66.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 73.430000000000007 111.017 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.472 ' HE3' ' HA ' ' A' ' 28' ' ' ILE . 68.7 mtm -87.52 -23.25 24.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 74.340000000000003 111.36 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.4 -29.56 2.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.962 -0.637 . . . . 61.030000000000001 112.188 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.869 ' HA ' HG22 ' A' ' 55' ' ' VAL . 4.5 mp -74.2 96.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.119 0.485 . . . . 52.119999999999997 110.133 -177.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.749 ' HA ' ' HG2' ' A' ' 29' ' ' MET . 13.7 p -112.08 174.32 5.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.937 -0.574 . . . . 60.130000000000003 111.266 -175.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -78.88 121.09 24.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.887 0.375 . . . . 72.150000000000006 110.023 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.43 7.95 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.072 -0.585 . . . . 61.310000000000002 112.005 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' HA ' ' NH1' ' A' ' 56' ' ' ARG . 23.2 p -115.44 154.12 29.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.258 -0.275 . . . . 72.430000000000007 110.258 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -96.78 132.26 42.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.584 . . . . 53.219999999999999 109.728 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.651 HD12 HG23 ' A' ' 33' ' ' ILE . 63.3 mt -133.32 133.84 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.235 0.54 . . . . 73.129999999999995 110.508 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -102.27 122.13 43.61 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.93 -0.577 . . . . 70.299999999999997 109.576 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.4 mm -79.99 117.83 26.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.582 -0.525 . . . . 64.340000000000003 109.582 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -90.39 -47.79 7.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 111.439 -175.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -156.27 146.37 21.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 75.140000000000001 111.181 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.16 125.43 74.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.165 -0.68 . . . . 62.409999999999997 109.165 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.4 145.65 95.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.555 -0.293 . . . . 44.439999999999998 111.098 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.54 -28.86 88.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.026 2.484 . . . . 53.240000000000002 113.076 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.767 ' H ' HD21 ' A' ' 47' ' ' LEU . 1.7 pt? -91.87 -1.16 57.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.132 0.491 . . . . 72.420000000000002 110.691 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.31 -71.74 0.32 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 121.048 -0.596 . . . . 71.219999999999999 111.798 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.741 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 4.0 p-10 -117.73 163.63 23.29 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.172 -0.307 . . . . 72.530000000000001 110.172 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.741 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 1.5 Cg_endo -83.98 145.69 49.56 Favored 'Cis proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.881 -1.3 . . . . 61.210000000000001 112.917 0.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -93.96 125.29 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.265 -0.643 . . . . 72.129999999999995 109.265 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -81.27 111.23 17.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.808 -0.442 . . . . 63.039999999999999 109.808 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.11 152.0 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.295 -0.411 . . . . 72.510000000000005 111.14 -176.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.541 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 43.4 t-20 -122.43 110.25 15.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.39 -0.596 . . . . 71.319999999999993 109.39 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 33' ' ' ILE . 8.8 p -108.08 127.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.733 -0.667 . . . . 72.230000000000004 110.725 -175.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.453 ' HG2' HG23 ' A' ' 55' ' ' VAL . 28.1 mmt180 62.36 -84.86 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.288 -0.634 . . . . 72.430000000000007 109.288 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.94 34.56 1.02 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.457 -1.057 . . . . 75.349999999999994 110.457 172.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.42 ' HE2' HD22 ' A' ' 60' ' ' LEU . 2.9 t80 -131.52 129.22 40.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.831 -0.433 . . . . 73.510000000000005 109.831 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -105.71 119.27 38.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.396 0.617 . . . . 73.140000000000001 111.331 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 HD22 ' HE2' ' A' ' 58' ' ' TYR . 63.4 mt -132.25 171.42 13.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.356 -0.838 . . . . 73.109999999999999 110.859 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.8 m -98.64 126.73 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 70.450000000000003 109.788 171.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.4 tp -104.72 148.0 27.06 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.636 -0.505 . . . . 72.209999999999994 109.636 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.476 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -83.96 158.46 21.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.22 0.533 . . . . 71.239999999999995 111.168 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 85.8 tttt -62.7 -48.76 77.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.927 -1.033 . . . . 63.43 110.747 -178.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 69' ' ' MET . 12.0 p -65.6 -42.3 91.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 62.439999999999998 110.693 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.624 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -62.89 -41.75 99.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 43.43 110.58 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.4 68.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 73.340000000000003 111.958 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 14.1 pt-20 -98.06 -2.15 40.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.443 -0.503 . . . . 75.299999999999997 111.309 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 65' ' ' SER . 66.2 mtt -97.18 -9.55 27.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 52.409999999999997 110.155 174.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.624 HG13 ' O ' ' A' ' 66' ' ' ALA . 71.4 mt -91.23 121.84 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.138 -0.483 . . . . 65.400000000000006 111.075 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.665 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 3.7 tt0 -80.37 112.57 17.83 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.712 -0.847 . . . . 55.43 108.712 172.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 1.006 HG11 HD21 ' A' ' 4' ' ' LEU . 19.5 m -120.82 162.04 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.392 0.615 . . . . 73.420000000000002 112.062 -177.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.32 130.0 56.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.868 -1.06 . . . . 73.200000000000003 109.034 173.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.9 110.1 16.1 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.141 -1.059 . . . . 63.299999999999997 108.141 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -72.13 108.62 5.41 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.377 0.608 . . . . 73.140000000000001 109.755 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -75.06 158.81 32.56 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.207 -0.906 . . . . 73.040000000000006 110.699 -174.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -100.7 101.27 12.1 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.969 -1.122 . . . . 74.040000000000006 107.969 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -106.8 162.65 13.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.945 -0.571 . . . . 61.130000000000003 111.992 -168.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.73 127.83 34.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.513 -0.767 . . . . 64.25 109.719 174.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -70.63 162.62 28.62 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.438 0.461 . . . . 72.140000000000001 110.592 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.069 -0.715 . . . . 72.040000000000006 109.069 172.389 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 108.762 -0.829 . . . . 74.01 108.762 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.418 ' HB2' ' HG3' ' A' ' 5' ' ' ARG . 1.9 m -105.3 176.15 5.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.984 -0.553 . . . . 64.43 110.38 -175.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.571 HD13 HG11 ' A' ' 72' ' ' VAL . 44.6 tp -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 63.44 110.188 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 7.0 ppt_? -79.57 -6.43 57.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 74.52 111.336 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -88.69 -5.97 57.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 64.32 110.376 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.11 151.1 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 72.34 110.462 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -98.9 149.53 22.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 65.44 109.995 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.431 ' HB3' HG23 ' A' ' 44' ' ' VAL . 1.5 p -69.69 110.65 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.295 0.569 . . . . 72.52 110.358 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.02 -9.69 6.68 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.387 -0.824 . . . . 51.22 111.279 -173.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.697 ' HB3' HD21 ' A' ' 74' ' ' LEU . 97.2 mt-30 -101.01 165.71 11.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 54.04 110.824 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -118.05 121.02 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 72.31 110.449 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 39' ' ' ILE . 27.9 m -116.97 164.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.041 0.448 . . . . 64.12 110.668 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -133.49 137.49 45.68 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.85 -0.614 . . . . 65.41 110.038 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' A' ' 72' ' ' VAL . 44.1 t -77.09 131.06 35.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.992 -0.549 . . . . 74.25 110.737 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.544 HG23 ' HG2' ' A' ' 71' ' ' GLU . 4.6 m -115.62 -58.13 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.391 -0.368 . . . . 74.41 110.992 176.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 99.1 mttt -118.02 160.5 21.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 74.42 110.638 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -130.78 110.12 11.1 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.249 -0.648 . . . . 73.24 109.249 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.623 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 61.0 m-70 -86.83 163.65 17.1 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.003 -0.369 . . . . 64.53 110.003 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.51 178.0 15.45 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 72.45 112.59 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -81.27 31.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.212 0.449 . . . . 75.23 112.212 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.94 -61.36 4.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.896 -0.669 . . . . 74.52 112.636 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.37 -37.32 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 74.44 111.171 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 28' ' ' ILE . 59.4 tp -62.74 -43.51 98.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 63.32 110.085 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.2 -42.04 94.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.994 -0.548 . . . . 74.22 110.206 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -61.21 -42.57 98.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.556 -0.747 . . . . 75.34 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.11 -45.65 87.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 61.44 110.278 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.536 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 88.5 mt -58.56 -50.21 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 64.14 111.217 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 71.2 mtm -67.76 -30.62 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.665 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.75 -35.14 78.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 72.31 110.818 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.536 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 66.5 mtm -74.12 -17.68 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.943 -0.571 . . . . 53.13 111.353 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.21 -20.33 7.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.781 . . . . 64.11 112.321 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' A' ' 28' ' ' ILE . 21.9 mm -69.87 102.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.344 -0.613 . . . . 72.1 109.344 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 p -126.75 156.31 41.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.25 -0.432 . . . . 72.21 112.136 -170.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.4 106.4 2.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 73.33 110.397 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.27 -26.22 5.84 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.032 -0.604 . . . . 74.03 112.51 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 p -71.71 144.37 49.33 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.991 0.396 . . . . 71.03 110.283 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.33 141.33 28.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 71.51 109.919 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 55' ' ' VAL . 54.2 mt -124.46 116.27 47.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 54.01 110.262 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -91.05 108.75 20.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.777 -0.823 . . . . 73.12 108.777 174.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.421 ' HA ' HG22 ' A' ' 53' ' ' ILE . 13.5 mm -68.53 113.51 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.591 -0.522 . . . . 64.4 109.591 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -88.99 -56.42 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.178 -0.465 . . . . 63.43 111.113 -171.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . 58.1 tptt -147.92 123.64 10.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.791 0.329 . . . . 73.11 111.041 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 9' ' ' CYS . 58.5 t -108.97 121.19 61.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.518 -0.549 . . . . 75.45 109.518 175.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.27 145.55 98.63 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 73.05 110.728 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.013 2.475 . . . . 72.53 112.685 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.2 -10.96 59.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.283 0.563 . . . . 72.32 110.137 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.33 -19.25 55.11 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.492 -0.776 . . . . 74.31 111.393 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' HD2' ' A' ' 63' ' ' ARG . 31.7 t70 -144.63 141.74 18.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.424 -0.388 . . . . 62.34 110.119 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -90.96 171.32 24.89 Favored 'Cis proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.508 -1.455 . . . . 62.31 112.718 -2.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG22 HG23 ' A' ' 53' ' ' ILE . 65.2 mt -107.7 117.39 53.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 72.54 110.568 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 43' ' ' LYS . 2.0 mp0 -84.34 121.49 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 71.34 109.962 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 HG22 ' A' ' 51' ' ' ILE . 24.4 pt -135.72 151.31 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.011 -0.54 . . . . 73.23 110.632 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 44.7 t-20 -110.53 112.1 23.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.374 -0.602 . . . . 73.05 109.374 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 56' ' ' ARG . 43.1 t -129.98 130.99 66.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 75.43 110.223 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.773 ' HG2' HG12 ' A' ' 55' ' ' VAL . 28.3 mmt180 62.73 15.68 8.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.079 -0.509 . . . . 63.41 111.501 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.92 -7.01 60.48 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.934 -0.651 . . . . 73.14 112.202 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -101.14 128.39 47.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.675 -0.491 . . . . 75.35 109.675 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 32.4 tt0 -103.49 114.67 29.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.523 0.678 . . . . 72.32 109.304 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 pp -139.98 174.89 10.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.194 -0.912 . . . . 74.52 111.344 -171.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.7 m -107.92 124.05 49.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.802 -0.635 . . . . 74.25 109.966 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.4 tp -106.37 134.55 49.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.39 -0.596 . . . . 74.34 109.39 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HD2' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -65.52 137.35 57.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.956 -0.565 . . . . 72.31 110.249 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.89 61.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 51.34 110.69 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -52.87 -46.16 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 62.15 110.661 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.09 -44.34 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 54.22 110.683 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.61 65.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.186 0.517 . . . . 75.31 111.63 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -79.24 -10.96 59.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.706 -0.679 . . . . 75.25 110.982 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.623 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -109.91 -19.25 13.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 71.11 110.901 -177.287 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.507 HG22 HG13 ' A' ' 72' ' ' VAL . 74.5 mt -75.84 134.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 71.51 110.965 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.544 ' HG2' HG23 ' A' ' 16' ' ' VAL . 3.2 tt0 -99.22 112.86 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 74.54 110.072 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG11 HD13 ' A' ' 4' ' ' LEU . 29.3 m -126.55 170.77 16.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.528 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.33 136.54 53.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.055 -0.52 . . . . 75.24 110.162 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 11' ' ' GLN . 1.2 tm? . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 108.298 -1.001 . . . . 73.34 108.298 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.8 t80 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.441 -0.577 . . . . 52.45 109.441 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 85.0 p -97.07 173.87 7.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.324 -0.398 . . . . 60.12 110.277 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.603 HD13 HG11 ' A' ' 72' ' ' VAL . 23.9 tp -65.33 -19.07 65.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.392 0.615 . . . . 52.04 110.018 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -74.36 -23.87 59.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.161 -0.927 . . . . 62.33 111.31 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.32 -12.41 58.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.55 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.22 148.53 29.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.97 0.414 . . . . 62.24 110.91 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB2' ' OE1' ' A' ' 11' ' ' GLN . 35.3 mmtp -101.54 170.8 7.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 72.22 110.852 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.64 103.68 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.784 -0.644 . . . . 72.41 111.442 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.64 -24.48 6.44 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.819 -0.628 . . . . 72.43 112.123 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 10.4 mp0 -71.48 124.62 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.745 0.307 . . . . 70.52 110.591 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -99.19 110.48 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.287 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.424 HG12 HD13 ' A' ' 74' ' ' LEU . 33.2 m -113.38 170.47 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.07 -0.514 . . . . 65.31 110.379 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 5.7 tmmm? -130.6 128.36 40.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.8 -0.445 . . . . 75.3 109.8 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.697 HG23 HD13 ' A' ' 39' ' ' ILE . 78.7 t -70.49 127.8 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 71.14 110.844 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.17 -35.7 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 64.33 112.142 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 35.5 ttpt -141.45 148.84 40.17 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.883 0.373 . . . . 64.33 110.132 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -120.14 117.65 28.47 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.952 -0.388 . . . . 72.21 109.952 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -73.43 -31.39 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.872 -0.603 . . . . 55.14 111.137 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.615 ' HA3' ' HB3' ' A' ' 24' ' ' LEU . . . -56.22 123.23 30.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.873 -0.68 . . . . 75.11 111.86 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -70.8 85.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.596 . . . . 54.23 111.783 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.676 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . 72.16 -75.32 0.79 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.085 -0.961 . . . . 50.4 114.113 172.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.14 79.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 70.15 110.935 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.615 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . 1.7 tm? -68.63 -41.21 79.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.956 -0.566 . . . . 62.13 110.211 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -70.41 -27.68 64.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 41.11 110.939 -176.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -77.46 -36.34 52.99 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.503 -0.554 . . . . 63.13 109.503 177.109 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -58.04 -45.28 87.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.719 -0.673 . . . . 74.02 110.689 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.464 HD13 HG12 ' A' ' 70' ' ' ILE . 52.6 mt -57.95 -40.68 77.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.213 0.53 . . . . 65.34 110.378 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.07 -30.34 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 71.21 110.898 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.89 -31.46 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 71.23 111.574 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -79.72 -12.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.971 -0.291 . . . . 72.53 111.033 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.61 4.65 28.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.484 -0.865 . . . . 72.51 112.895 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.2 mp -104.92 114.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.928 -0.397 . . . . 54.12 109.928 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -139.17 170.05 16.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.805 0.336 . . . . 65.24 110.281 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -63.13 131.42 48.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.013 -0.54 . . . . 65.32 111.102 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.4 -17.36 47.27 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.712 -0.676 . . . . 65.3 112.351 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.0 m -88.41 154.34 20.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.37 . . . . 73.4 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.49 128.14 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.564 . . . . 63.22 110.516 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.697 HD13 HG23 ' A' ' 15' ' ' VAL . 4.5 mp -125.06 122.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 64.32 109.856 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 30.3 p90 -114.89 135.91 53.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.535 -0.543 . . . . 74.02 109.535 172.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 mm -75.74 138.39 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.94 -0.573 . . . . 75.1 110.751 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -87.77 -53.29 4.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.943 -0.571 . . . . 61.32 109.907 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.05 139.34 22.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 72.2 110.689 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.46 111.73 36.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.023 -0.732 . . . . 54.02 109.023 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 143.57 91.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.53 -0.305 . . . . 52.32 110.563 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.66 -9.16 23.42 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.843 2.362 . . . . 74.24 112.972 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.1 mt -87.46 -10.89 50.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 71.44 109.896 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.43 -30.19 9.54 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.261 -0.736 . . . . 73.12 111.261 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.579 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 2.2 p-10 -151.47 161.33 29.97 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 109.044 -0.725 . . . . 72.14 109.044 175.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.579 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 78.1 Cg_endo -78.41 159.46 92.32 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.417 -1.493 . . . . 64.41 113.138 -0.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -102.97 113.89 41.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.419 -0.809 . . . . 73.22 109.626 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -87.82 119.49 28.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.514 -0.55 . . . . 73.12 109.514 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.522 HD11 ' HB2' ' A' ' 60' ' ' LEU . 2.8 pp -121.12 155.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.594 0.235 . . . . 74.5 110.931 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -116.84 108.89 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.872 -0.418 . . . . 72.2 109.872 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.841 HG12 ' HG2' ' A' ' 56' ' ' ARG . 26.4 t -141.93 140.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.378 -0.601 . . . . 62.5 109.378 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.841 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.2 mmm180 65.29 17.01 10.84 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.328 0.392 . . . . 73.34 110.731 177.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 -2.92 87.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.975 -0.631 . . . . 44.01 112.267 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.563 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 96.2 m-85 -98.89 142.84 29.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.754 -0.263 . . . . 74.13 110.955 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.08 109.98 21.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.843 -0.799 . . . . 74.13 108.843 167.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.522 ' HB2' HD11 ' A' ' 53' ' ' ILE . 90.7 mt -114.69 132.32 56.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.073 0.463 . . . . 64.33 111.539 -172.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -84.58 106.5 16.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.323 -0.853 . . . . 72.53 109.17 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -105.93 134.66 48.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.925 0.393 . . . . 75.15 110.059 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.475 ' HD3' ' H ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.093 -0.503 . . . . 65.04 109.832 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' CG ' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -56.87 -27.72 60.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 74.3 111.622 -178.688 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.461 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 5.6 m -58.55 -44.41 89.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 73.13 110.672 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.53 -37.78 59.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.618 176.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . -60.73 -30.83 70.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.057 -0.52 . . . . 50.41 111.539 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 41.5 mt-10 -64.36 -34.09 77.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.183 0.516 . . . . 75.44 110.788 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.4 mtt -87.23 0.6 55.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 74.14 111.186 -174.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.538 HG22 HG13 ' A' ' 72' ' ' VAL . 59.8 mt -98.58 109.69 24.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.919 0.39 . . . . 74.31 110.647 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.8 tp10 -83.7 112.1 19.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.914 -0.773 . . . . 71.35 108.914 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.603 HG11 HD13 ' A' ' 4' ' ' LEU . 29.8 m -119.69 161.14 19.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.186 0.517 . . . . 74.52 111.24 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -123.2 133.62 54.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.341 -0.845 . . . . 72.42 109.263 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.424 HD13 HG12 ' A' ' 13' ' ' VAL . 20.9 tp . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.461 -0.336 . . . . 51.33 110.395 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.527 ' HZ ' HD23 ' A' ' 74' ' ' LEU . 25.8 t80 . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 108.597 -0.89 . . . . 62.43 108.597 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 27.2 p -86.73 159.45 19.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.072 -0.513 . . . . 72.34 111.197 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.597 ' CD1' HG21 ' A' ' 13' ' ' VAL . 52.5 tp -63.61 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.725 -0.67 . . . . 74.01 110.62 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HG2' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -71.23 -33.38 69.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.709 -0.678 . . . . 74.31 110.073 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.97 -30.82 70.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.124 -0.489 . . . . 74.34 111.464 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 159.57 30.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.783 0.325 . . . . 61.25 110.802 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -108.24 -178.67 3.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.77 0.319 . . . . 73.33 110.615 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.4 m -68.77 144.43 54.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 53.14 110.956 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . 87.52 2.11 82.68 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.961 -0.637 . . . . 62.54 113.081 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.26 149.69 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.175 0.512 . . . . 74.32 110.988 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.4 m -103.93 114.65 29.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.423 -0.808 . . . . 54.41 110.455 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.597 HG21 ' CD1' ' A' ' 4' ' ' LEU . 29.5 m -114.93 134.59 57.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 70.14 111.212 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -94.87 134.66 37.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.165 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.722 HG21 HG23 ' A' ' 33' ' ' ILE . 24.3 t -77.77 114.59 18.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 75.02 110.53 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 m -115.01 -47.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.283 0.475 . . . . 65.12 112.283 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.849 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 94.9 mttt -133.01 151.75 52.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 74.24 111.198 -176.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -127.37 107.83 10.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.614 -0.721 . . . . 72.03 109.649 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -87.2 -3.84 59.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 73.4 111.022 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.14 166.36 52.57 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.919 -0.582 . . . . 70.22 112.982 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.5 p -76.54 176.24 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.226 0.21 . . . . 55.0 110.829 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.33 94.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.226 -0.511 . . . . 74.53 113.372 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 72.34 111.093 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 28' ' ' ILE . 4.6 mm? -64.51 -49.2 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 53.02 110.452 178.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' THR . 14.0 ttmt -53.99 -49.84 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 73.43 111.109 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -56.41 -47.34 79.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 72.22 111.357 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 31' ' ' MET . 59.6 ttt180 -66.65 -41.53 88.07 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 41.2 110.371 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.486 HG22 ' HB ' ' A' ' 33' ' ' ILE . 73.3 mt -61.98 -41.59 91.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.512 0.672 . . . . 71.41 110.291 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.1 mtm -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 73.11 111.104 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.18 -29.29 70.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.487 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 34.2 mtt -72.65 -14.65 61.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 71.01 110.805 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.17 3.0 38.83 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.423 -0.671 . . . . 53.24 111.423 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.722 HG23 HG21 ' A' ' 15' ' ' VAL . 57.3 mt -94.16 91.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.376 -0.602 . . . . 71.13 109.376 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -121.66 -57.46 1.81 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 73.13 112.278 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -175.35 137.74 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.253 -0.885 . . . . 73.51 110.1 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.55 -28.79 2.68 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.025 -0.607 . . . . 60.2 113.398 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 74.42 110.466 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 130.18 53.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.743 -0.662 . . . . 73.04 109.853 175.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.456 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 66.5 mt -109.03 123.81 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 115.353 -0.839 . . . . 71.13 110.493 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 71.0 t80 -86.99 108.8 19.0 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.231 -0.895 . . . . 74.35 109.819 172.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.48 110.61 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.201 -0.666 . . . . 64.0 109.201 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -51.74 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.01 110.572 -172.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -159.01 123.01 3.91 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.403 -0.519 . . . . 70.21 111.336 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.814 HG13 HG12 ' A' ' 51' ' ' ILE . 42.4 t -97.31 130.06 46.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.886 -0.597 . . . . 75.51 109.491 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.74 144.19 90.59 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.463 -0.335 . . . . 55.21 110.291 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.91 -19.85 69.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.675 2.25 . . . . 74.43 112.043 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.01 -25.1 62.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.361 0.6 . . . . 74.22 110.039 175.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . 95.13 -15.07 64.13 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.246 -0.888 . . . . 53.35 111.693 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.512 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 26.3 t70 -144.61 125.55 7.68 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.527 -0.336 . . . . 64.51 110.149 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 89.6 Cg_endo -94.61 -174.7 5.19 Favored 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.398 -1.501 . . . . 72.32 112.643 -4.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.814 HG12 HG13 ' A' ' 44' ' ' VAL . 64.4 mt -112.23 135.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.696 -0.684 . . . . 72.11 110.013 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -96.87 113.94 25.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 75.5 110.226 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.456 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 27.9 pt -119.77 136.92 55.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.462 -0.336 . . . . 63.44 110.296 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -93.72 109.33 21.0 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.481 -0.488 . . . . 72.0 110.62 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.929 HG12 ' HG2' ' A' ' 56' ' ' ARG . 62.5 t -131.85 137.8 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.468 -0.787 . . . . 63.01 108.992 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.929 ' HG2' HG12 ' A' ' 55' ' ' VAL . 10.0 mmt180 63.96 21.08 12.49 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.364 0.415 . . . . 65.52 110.689 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.27 17.15 72.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.985 -0.626 . . . . 44.45 112.477 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -137.04 137.95 39.92 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.866 -0.42 . . . . 75.3 109.866 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 1.2 pm0 -84.77 110.6 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.504 0.669 . . . . 75.24 110.419 176.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 31' ' ' MET . 55.8 mt -95.14 137.03 34.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.082 -0.963 . . . . 72.14 110.052 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.6 m -85.69 105.65 16.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.025 0.44 . . . . 64.21 110.46 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 4' ' ' LEU . 30.5 tp -106.49 125.59 51.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.0 -0.546 . . . . 64.01 109.528 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -72.44 156.27 39.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.281 -0.418 . . . . 62.22 111.239 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -60.41 -25.89 66.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.954 -0.566 . . . . 75.33 111.577 -177.496 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.483 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 13.0 m -59.55 -48.83 80.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 72.21 110.394 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.45 -38.45 55.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.903 -0.589 . . . . 72.45 110.818 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.23 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 35.14 111.691 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.451 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 5.0 mm-40 -85.41 3.57 39.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.457 -0.338 . . . . 70.11 111.239 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.5 tpp -113.96 -16.99 12.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.168 0.509 . . . . 74.42 111.045 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 3' ' ' SER . 70.5 mt -87.32 134.93 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 71.2 110.994 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.849 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 7.7 tp10 -98.09 115.38 28.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.981 -0.748 . . . . 73.23 108.981 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.501 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 20.5 m -122.71 178.55 3.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.048 0.451 . . . . 73.34 111.074 -177.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -136.79 130.71 32.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.619 -0.718 . . . . 74.34 109.928 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 108.052 -1.092 . . . . 75.31 108.052 173.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.27 0.557 . . . . 73.41 109.605 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -92.58 156.91 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.621 -0.718 . . . . 74.45 110.26 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.638 HD13 HG21 ' A' ' 13' ' ' VAL . 38.6 tp -61.97 -29.55 70.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.134 0.492 . . . . 72.24 110.317 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HD3' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -62.77 -29.28 70.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 73.05 110.494 175.723 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -91.33 -3.31 56.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.731 -0.668 . . . . 75.13 110.562 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 160.28 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 32.42 110.556 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HB2' ' NE2' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -114.18 154.15 28.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.335 -0.393 . . . . 74.24 110.39 -178.037 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 p -64.44 153.41 38.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.577 . . . . 72.24 111.34 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.53 -4.73 82.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.041 -0.599 . . . . 64.31 112.671 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.518 ' NE2' ' HB2' ' A' ' 8' ' ' LYS . 48.2 mt-30 -114.6 165.44 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.874 0.368 . . . . 65.32 110.922 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.886 -0.597 . . . . 70.01 110.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.638 HG21 HD13 ' A' ' 4' ' ' LEU . 35.0 m -124.49 158.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.799 0.333 . . . . 62.25 111.097 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -112.17 122.6 48.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.949 -0.569 . . . . 74.04 109.546 174.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.871 HG21 HG23 ' A' ' 33' ' ' ILE . 43.3 t -72.34 121.92 23.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.773 -0.194 . . . . 62.44 110.668 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG23 ' HG2' ' A' ' 71' ' ' GLU . 4.1 m -113.07 -40.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 112.262 0.467 . . . . 64.2 112.262 -178.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 30.4 mtmt -134.17 127.0 31.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.287 0.565 . . . . 71.45 112.004 -178.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.43 103.77 15.15 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.515 -0.766 . . . . 52.21 109.116 175.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -76.61 -5.28 47.09 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.716 0.293 . . . . 73.5 110.721 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -65.62 123.51 25.0 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.947 -0.644 . . . . 71.31 111.535 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 p -77.39 88.85 3.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.499 0.555 . . . . 73.23 112.499 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' CA ' ' HG2' ' A' ' 25' ' ' LYS . . . 67.85 -84.18 0.16 Allowed Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.489 -0.778 . . . . 41.31 114.037 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.251 0.548 . . . . 72.3 110.527 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.98 -46.84 67.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.431 -0.804 . . . . 71.24 110.758 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 20' ' ' GLY . 18.9 ptmt -67.73 -33.0 74.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.49 -0.323 . . . . 62.45 110.853 -174.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.497 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 79.9 ttt180 -67.94 -45.19 74.98 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.555 -0.458 . . . . 74.34 110.633 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.42 -44.32 84.53 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 74.2 110.363 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.663 HG22 ' HB ' ' A' ' 33' ' ' ILE . 85.0 mt -61.69 -49.61 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.574 -0.739 . . . . 72.44 111.193 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.654 ' HB2' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -74.72 -30.0 61.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 73.25 111.66 -176.185 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.74 -33.61 73.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.036 0.446 . . . . 72.44 110.822 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.444 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 70.2 mtm -74.32 -22.75 59.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 74.14 111.194 176.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.86 -10.2 3.66 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.425 -0.893 . . . . 60.11 113.122 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.871 HG23 HG21 ' A' ' 15' ' ' VAL . 53.8 mt -86.51 77.58 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.274 0.559 . . . . 74.12 110.205 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 29' ' ' MET . 17.6 p -102.66 22.89 12.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.523 0.935 . . . . 74.24 113.523 -169.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 34' ' ' THR . 52.6 ttp180 68.32 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.227 0.537 . . . . 74.05 110.351 -176.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.1 -12.63 68.55 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.818 -0.913 . . . . 55.31 110.818 -172.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -79.18 147.48 32.63 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.454 -0.573 . . . . 74.34 109.454 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.05 140.41 36.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.002 0.43 . . . . 74.03 110.112 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.684 HG12 HG22 ' A' ' 55' ' ' VAL . 51.2 mt -127.43 122.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.53 . . . . 62.23 110.627 -176.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.514 ' HD1' ' HD2' ' A' ' 42' ' ' ARG . 51.8 t80 -94.45 115.96 28.23 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.995 -0.742 . . . . 72.02 108.995 173.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.601 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.1 mp -74.77 115.85 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.687 -0.486 . . . . 74.2 109.687 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.732 ' HD3' ' HB2' ' A' ' 54' ' ' ASN . 29.4 mmm180 -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 74.1 111.102 -173.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 1.9 tmtp? -156.01 133.05 10.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.17 -174.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.458 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 43.8 t -102.84 110.87 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.54 -0.541 . . . . 73.15 109.54 175.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -57.08 145.9 63.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 61.41 111.311 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 50.7 Cg_exo -54.12 -38.25 87.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.209 2.606 . . . . 75.44 113.123 -177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' HD13 ' A' ' 47' ' ' LEU . 3.1 tm? -74.58 -27.34 60.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.163 0.506 . . . . 71.01 110.037 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.81 -7.31 41.7 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.765 -0.731 . . . . 75.41 111.499 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 13.9 t70 -139.99 125.97 11.88 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.966 -0.383 . . . . 72.31 109.966 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.536 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 83.5 Cg_endo -95.87 177.48 9.59 Favored 'Cis proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.713 -1.37 . . . . 54.35 112.338 -4.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 51' ' ' ILE . 4.2 mp -99.59 127.1 52.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 74.12 109.516 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.24 120.88 28.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.609 -0.515 . . . . 65.04 109.609 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 62' ' ' LEU . 41.2 pt -132.34 153.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.564 -0.289 . . . . 73.21 110.819 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.732 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 46.5 t-20 -107.0 111.18 23.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.651 -0.5 . . . . 74.43 109.651 176.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.684 HG22 HG12 ' A' ' 39' ' ' ILE . 94.5 t -127.24 124.84 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 63.44 109.782 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.648 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmm180 65.89 18.59 11.14 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.447 0.467 . . . . 74.35 111.278 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.81 -6.02 76.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.991 -0.623 . . . . 54.22 111.928 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.48 130.78 44.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.675 0.274 . . . . 73.33 110.566 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -75.22 110.71 9.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.742 -0.836 . . . . 64.44 108.742 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -114.87 161.22 18.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.044 0.45 . . . . 73.42 110.874 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -127.52 114.33 17.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.786 -0.643 . . . . 70.52 110.307 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 53' ' ' ILE . 3.6 mm? -106.18 137.15 44.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.31 -0.405 . . . . 63.4 110.309 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 63' ' ' ARG . 2.2 mpt_? -68.66 155.98 39.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.312 -0.403 . . . . 74.12 111.001 -178.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' HG3' ' HD3' ' A' ' 5' ' ' ARG . 80.5 tttt -56.88 -46.71 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.449 -0.796 . . . . 75.44 110.959 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 m -63.65 -33.57 75.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.661 -0.699 . . . . 51.22 111.328 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.95 -43.29 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 70.13 111.012 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.75 -23.39 65.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.252 -0.431 . . . . 70.23 111.813 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -84.58 -6.6 59.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 72.43 110.714 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 91.4 mtp -102.84 0.6 32.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 71.45 110.185 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.508 HG22 HG13 ' A' ' 72' ' ' VAL . 68.9 mt -99.69 114.21 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.747 -0.661 . . . . 74.44 110.214 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.6 tt0 -91.78 120.53 32.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.687 -0.688 . . . . 74.23 109.581 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.643 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -131.38 160.8 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.252 0.548 . . . . 71.42 111.868 -174.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.24 132.73 46.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.116 -0.947 . . . . 71.41 109.323 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD22 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 108.217 -1.031 . . . . 75.13 108.217 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.634 -0.506 . . . . 61.21 109.634 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 5.6 m -85.78 154.71 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.307 -0.406 . . . . 61.42 111.026 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.637 HD13 HG11 ' A' ' 72' ' ' VAL . 56.7 tp -61.34 -29.8 70.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 73.12 111.482 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -68.88 -6.39 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.602 0.593 . . . . 73.41 112.602 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -90.15 -11.78 40.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.124 0.488 . . . . 73.25 110.797 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 157.54 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.005 -0.543 . . . . 64.23 110.113 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -115.79 176.34 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.896 0.379 . . . . 62.22 111.101 -176.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.6 p -66.28 140.17 58.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 73.44 112.214 -175.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 9.33 84.55 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.526 -0.761 . . . . 61.42 112.823 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 52.4 mt-30 -109.56 146.15 35.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.612 0.244 . . . . 72.13 110.369 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -102.45 121.67 42.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.222 -0.445 . . . . 73.4 110.607 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 HD13 ' A' ' 74' ' ' LEU . 35.7 m -119.35 151.27 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.375 -0.375 . . . . 73.22 110.523 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.992 0.425 . . . . 73.41 110.849 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG21 HG23 ' A' ' 33' ' ' ILE . 60.4 t -81.03 114.68 22.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.283 -0.871 . . . . 44.02 109.614 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -107.39 -39.9 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.674 -0.41 . . . . 73.5 112.062 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 2.8 tppp? -137.01 133.23 35.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 53.51 110.79 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.554 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 87.8 mt -108.45 118.6 37.19 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.254 -0.43 . . . . 71.52 109.849 176.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.822 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 62.7 m-70 -99.73 175.77 5.69 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 71.2 108.932 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.584 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 119.43 157.19 10.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 74.33 111.813 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -85.34 79.56 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.009 0.404 . . . . 65.3 111.736 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.44 -75.7 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 CA-C-N 115.65 -0.705 . . . . 44.15 114.85 171.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.42 84.92 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.654 0.382 . . . . 70.23 111.512 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 28' ' ' ILE . 55.2 tp -58.07 -45.82 86.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.168 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.584 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -57.81 -45.61 85.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 75.42 111.312 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -62.0 -43.65 98.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.014 0.435 . . . . 73.14 110.249 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.64 -40.23 96.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 74.43 110.614 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.571 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 92.6 mt -66.73 -49.58 73.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 74.45 110.841 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 73.7 mtm -66.39 -33.52 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 71.44 111.274 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.5 -36.65 78.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 74.42 111.474 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.571 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.7 mtm -72.82 -24.46 60.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.978 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.53 -20.26 4.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.78 . . . . 60.41 112.286 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.678 HG23 HG21 ' A' ' 15' ' ' VAL . 55.8 mt -67.25 110.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 71.23 110.449 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -134.82 165.29 25.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 72.0 111.308 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -67.97 114.15 6.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.463 . . . . 64.22 110.776 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.07 -1.73 44.23 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.758 -0.655 . . . . 71.1 113.015 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.4 p -86.15 140.43 30.2 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.38 0.59 . . . . 63.12 109.755 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -101.43 124.51 47.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.358 0.599 . . . . 71.24 110.122 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 55' ' ' VAL . 58.4 mt -121.48 124.66 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.21 -0.904 . . . . 71.44 109.624 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 23.9 p90 -96.69 131.0 43.82 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.752 -0.833 . . . . 73.42 108.752 171.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.3 mt -79.99 126.33 39.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.231 -0.441 . . . . 73.41 109.952 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -76.01 -51.47 12.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 65.51 109.747 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 70.3 mttt -154.45 135.96 14.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 44.51 111.457 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 51' ' ' ILE . 50.5 t -111.75 117.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.114 -0.699 . . . . 51.35 109.114 172.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.69 143.61 92.74 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.098 -0.334 . . . . 64.23 110.098 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.9 Cg_exo -63.51 -11.52 26.42 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.169 2.579 . . . . 60.35 112.409 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -81.42 -10.41 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.665 -0.698 . . . . 65.45 110.22 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 -12.74 68.7 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.342 -0.703 . . . . 54.22 111.342 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.79 150.19 15.35 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.435 -0.58 . . . . 70.51 109.435 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -83.88 157.56 70.85 Favored 'Cis proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 -1.653 . . . . 71.12 112.216 -4.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.438 HG23 HG22 ' A' ' 44' ' ' VAL . 64.5 mt -102.48 118.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.844 -0.616 . . . . 52.53 109.53 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -91.0 113.82 26.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.836 -0.62 . . . . 73.12 109.848 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.43 HG13 ' HB2' ' A' ' 60' ' ' LEU . 35.3 pt -120.59 161.87 19.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.545 0.212 . . . . 71.12 110.669 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -126.6 114.88 18.66 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.924 0.392 . . . . 54.1 110.314 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 39' ' ' ILE . 18.7 t -126.04 140.93 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 72.24 109.341 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HG2' HG12 ' A' ' 55' ' ' VAL . 31.2 mmt180 66.77 -73.81 0.07 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.912 0.757 . . . . 63.22 110.006 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.96 23.0 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.112 -1.195 . . . . 40.01 110.112 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -127.34 142.91 51.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 73.0 109.598 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -89.23 110.83 21.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 75.44 110.095 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HB2' HG13 ' A' ' 53' ' ' ILE . 87.2 mt -99.47 129.77 45.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.11 -0.495 . . . . 73.5 110.792 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -93.26 106.47 18.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 74.04 109.803 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 66' ' ' ALA . 30.7 tp -108.77 149.84 28.47 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.518 -0.549 . . . . 73.32 109.518 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.74 167.89 9.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.481 -0.488 . . . . 75.01 110.958 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -58.25 -29.57 65.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.415 -0.812 . . . . 72.23 111.755 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -53.59 -52.81 58.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 42.14 111.199 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -76.33 -38.79 55.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 61.12 111.204 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.62 66.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.517 -0.311 . . . . 74.52 111.772 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -82.97 -10.84 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.305 -0.407 . . . . 75.34 111.539 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.822 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 1.1 tpt -118.35 -2.0 11.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.947 0.403 . . . . 65.03 111.213 -174.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 66' ' ' ALA . 73.4 mt -92.84 128.43 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.385 -0.37 . . . . 73.11 110.41 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.2 tp10 -93.48 116.45 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.72 -0.673 . . . . 34.13 109.681 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.637 HG11 HD13 ' A' ' 4' ' ' LEU . 30.8 m -131.13 165.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.949 0.404 . . . . 71.33 112.041 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -133.55 150.73 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.601 -0.727 . . . . 74.25 109.463 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 HG12 ' A' ' 13' ' ' VAL . 4.5 mm? . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 71.15 111.317 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 108.822 -0.807 . . . . 72.25 108.822 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 99.2 p -84.63 166.21 17.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.394 -0.367 . . . . 63.12 110.315 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 39' ' ' ILE . 17.2 tp -69.44 -16.27 63.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.414 0.626 . . . . 63.13 109.513 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -39.33 68.79 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.265 -0.879 . . . . 71.23 108.988 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.64 -22.1 64.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.821 -0.627 . . . . 74.43 111.146 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 155.73 36.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 70.23 110.86 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -111.32 160.36 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.2 -0.454 . . . . 61.55 110.054 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 p -73.91 140.8 45.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.934 0.397 . . . . 62.45 110.496 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.38 1.96 71.18 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.396 -0.682 . . . . 41.42 111.396 -177.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -104.56 152.02 22.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.369 . . . . 65.43 110.53 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.3 m -111.44 129.77 55.92 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.984 -0.746 . . . . 44.43 108.984 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.01 172.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.596 0.236 . . . . 63.02 110.565 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -130.3 131.69 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.346 -0.388 . . . . 55.44 110.702 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' HA ' HG12 ' A' ' 72' ' ' VAL . 61.8 t -74.6 115.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.087 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -107.84 -38.86 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.275 -0.42 . . . . 72.21 111.602 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.654 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 56.6 mtpt -133.31 156.68 47.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.068 0.461 . . . . 72.54 110.308 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.18 116.26 19.65 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.987 -0.551 . . . . 70.41 109.835 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -86.83 154.48 20.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.176 -0.465 . . . . 55.23 109.747 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 175.81 14.2 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.784 -0.722 . . . . 73.13 111.741 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.5 p -79.12 -63.57 1.39 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.699 0.285 . . . . 74.21 111.503 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.81 -57.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.597 -0.811 . . . . 24.01 112.683 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.647 0.26 . . . . 52.05 111.11 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.44 -41.22 76.09 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.038 -0.528 . . . . 72.24 110.443 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -66.26 -49.26 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.176 -0.466 . . . . 62.32 111.168 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -63.08 -32.43 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.839 -0.43 . . . . 65.34 109.839 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.36 -42.15 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 75.44 110.464 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.732 HG22 ' HB ' ' A' ' 33' ' ' ILE . 60.6 mt -70.77 -41.55 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 74.01 110.548 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.501 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 87.6 mtp -63.42 -31.54 72.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 63.34 111.11 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.35 -32.6 68.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.818 -0.628 . . . . 75.32 111.324 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.567 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 62.8 mtm -84.52 -0.06 51.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.756 -0.656 . . . . 72.3 111.067 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.3 -3.31 50.85 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.945 -0.645 . . . . 42.31 112.563 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.732 ' HB ' HG22 ' A' ' 28' ' ' ILE . 40.3 mt -88.3 106.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 53.24 110.477 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -147.45 178.83 8.12 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 74.13 109.622 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.2 130.16 44.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 73.55 110.451 -177.614 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.63 -4.98 69.7 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.972 -0.632 . . . . 70.13 112.498 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.09 140.13 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 74.23 110.335 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -92.55 126.4 37.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.474 -0.784 . . . . 74.44 109.558 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.521 HG21 HD21 ' A' ' 4' ' ' LEU . 35.8 mm -112.02 117.42 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.99 -0.55 . . . . 44.44 110.267 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -95.23 105.82 17.79 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.937 -0.574 . . . . 65.5 109.896 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.1 mp -75.84 107.77 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.836 -0.801 . . . . 74.02 108.836 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -86.38 -40.87 14.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.37 -0.377 . . . . 73.44 110.642 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 4.6 tmtt? -156.84 137.83 13.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.772 0.32 . . . . 73.33 110.64 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 46.3 t -114.11 130.28 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.047 -0.723 . . . . 73.41 109.047 173.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.3 143.26 98.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.735 -0.386 . . . . 71.33 110.341 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.26 -29.63 88.34 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.974 2.449 . . . . 74.24 112.456 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.8 tp -85.86 -4.81 59.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.848 -0.615 . . . . 70.44 110.661 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.73 -24.68 31.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.989 -0.624 . . . . 65.14 112.509 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.554 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 8.5 t70 -134.59 133.71 21.64 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.959 -0.385 . . . . 75.14 109.959 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 93.6 Cg_endo -94.4 -172.79 4.16 Favored 'Cis proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.699 -1.376 . . . . 72.41 112.784 -2.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.401 HG22 HG23 ' A' ' 53' ' ' ILE . 4.7 mp -116.08 128.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.001 -0.545 . . . . 63.31 110.007 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -94.45 110.2 22.01 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.172 0.511 . . . . 75.5 110.703 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 51' ' ' ILE . 27.1 pt -120.97 144.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.732 -0.667 . . . . 73.22 110.215 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -104.36 113.04 26.33 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.959 -0.386 . . . . 73.33 109.959 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.604 HG12 ' HG3' ' A' ' 56' ' ' ARG . 60.6 t -124.09 119.16 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 73.15 110.368 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG3' HG12 ' A' ' 55' ' ' VAL . 71.1 mtt180 62.0 27.33 16.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.476 0.485 . . . . 53.35 111.065 176.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.38 -16.72 59.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.08 -0.581 . . . . 61.05 112.32 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 129.98 37.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.665 0.269 . . . . 75.44 110.297 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -96.31 117.31 30.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.332 0.587 . . . . 62.31 109.708 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 mt -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.045 -0.98 . . . . 75.02 111.108 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m -112.72 108.69 17.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.514 -0.55 . . . . 54.44 109.514 173.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.474 HD11 ' HE3' ' A' ' 31' ' ' MET . 12.4 mt -105.36 153.23 21.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 72.33 111.564 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 146.95 54.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.198 -0.91 . . . . 73.41 110.345 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -54.56 -42.12 70.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.619 . . . . 72.43 110.181 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.594 ' HA ' ' OE2' ' A' ' 68' ' ' GLU . 35.9 m -61.56 -32.9 73.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 64.03 111.856 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.48 -35.57 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 71.04 110.738 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -22.07 63.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.21 111.027 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.594 ' OE2' ' HA ' ' A' ' 65' ' ' SER . 44.0 mt-10 -67.46 -31.52 71.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.18 0.514 . . . . 73.5 110.903 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.8 mmt -82.6 -20.39 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 73.42 111.246 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.569 HG22 HG13 ' A' ' 72' ' ' VAL . 53.5 mt -82.09 109.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.807 0.337 . . . . 73.43 110.608 -178.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 8.0 tp10 -89.13 112.94 24.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.347 -0.612 . . . . 71.42 109.347 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG13 HG22 ' A' ' 70' ' ' ILE . 25.9 m -122.42 163.0 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.215 0.531 . . . . 73.43 111.465 -175.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.41 144.84 38.58 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.901 -0.778 . . . . 74.34 108.901 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 108.009 -1.108 . . . . 72.11 108.009 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 72' ' ' VAL . 35.8 t80 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 108.31 -0.996 . . . . 74.23 108.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.501 ' HB3' ' HB2' ' A' ' 6' ' ' ASP . 43.9 t -77.88 150.67 34.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.9 -0.591 . . . . 74.11 111.169 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 72' ' ' VAL . 41.4 tp -66.87 -26.89 67.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.276 0.56 . . . . 72.14 109.719 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.592 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 2.5 tmm_? -83.26 -12.26 56.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.624 -0.716 . . . . 61.51 109.735 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 24.2 t70 -92.17 -20.17 21.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.772 . . . . 62.42 110.128 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.14 148.83 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.83 -0.623 . . . . 63.51 110.64 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -94.25 142.19 27.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.48 -0.327 . . . . 73.12 110.473 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.63 127.41 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 65.45 110.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.96 -10.98 29.53 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.953 -0.641 . . . . 41.34 111.74 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -106.3 157.45 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 63.12 110.895 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.8 m -109.88 129.16 55.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.908 -0.587 . . . . 64.52 110.323 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.595 HG12 HD22 ' A' ' 74' ' ' LEU . 34.7 m -120.66 179.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 73.12 110.173 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -131.46 136.12 47.68 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.132 -0.322 . . . . 62.34 110.132 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.652 ' HA ' HG12 ' A' ' 72' ' ' VAL . 93.8 t -73.77 117.51 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.408 -0.589 . . . . 63.43 109.408 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG23 ' HG2' ' A' ' 71' ' ' GLU . 14.0 m -111.04 -36.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.628 -0.429 . . . . 63.4 111.882 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.664 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 15.4 tppt? -140.73 134.89 30.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.018 0.437 . . . . 73.42 111.018 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.578 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 82.1 mt -105.84 107.37 18.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.262 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 69' ' ' MET . 35.1 m-70 -88.28 158.96 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.02 -0.363 . . . . 73.12 110.02 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.79 -167.25 24.06 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.505 -0.855 . . . . 70.12 112.707 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 p -85.72 1.87 47.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.102 0.477 . . . . 75.33 111.835 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.791 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 96.59 -47.32 1.73 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.658 -0.782 . . . . 74.31 111.84 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.29 93.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.094 0.473 . . . . 60.12 110.519 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.69 -41.97 98.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 74.21 110.122 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.791 ' HD3' ' HA2' ' A' ' 22' ' ' GLY . 52.7 mtpt -62.7 -46.73 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.633 -0.712 . . . . 72.34 110.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -58.01 -39.67 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.758 -0.656 . . . . 72.54 110.772 178.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -67.57 -43.09 81.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.36 -0.382 . . . . 72.44 110.768 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.561 HG22 ' HB ' ' A' ' 33' ' ' ILE . 73.7 mt -69.24 -38.78 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.678 0.275 . . . . 62.12 111.142 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.15 -29.26 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 75.24 110.551 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.74 -30.32 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.667 -0.697 . . . . 71.43 111.368 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.613 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.8 mpp? -81.17 -6.45 58.86 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.748 0.309 . . . . 70.31 111.452 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.77 2.13 46.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.539 -0.839 . . . . 74.32 112.195 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.561 ' HB ' HG22 ' A' ' 28' ' ' ILE . 46.4 mt -87.43 99.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.756 -0.461 . . . . 70.34 109.756 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -120.67 156.03 32.59 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.084 -0.507 . . . . 74.53 111.047 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HG2' ' H ' ' A' ' 35' ' ' ARG . 10.9 ptt85 -58.41 114.29 2.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 72.0 110.291 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.45 -31.71 4.12 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.383 -0.826 . . . . 75.41 112.396 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.62 149.29 42.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.805 0.336 . . . . 25.54 110.562 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -90.98 139.88 30.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.13 0.491 . . . . 73.24 110.293 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 4' ' ' LEU . 31.1 mm -114.82 114.41 46.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.506 -0.77 . . . . 71.45 109.894 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -83.2 113.55 20.74 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.398 -0.593 . . . . 74.12 109.398 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -75.24 99.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.208 -0.664 . . . . 72.51 109.208 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -46.44 21.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.627 -0.715 . . . . 62.42 110.917 -171.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -160.8 122.81 3.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.942 0.401 . . . . 74.31 111.673 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.9 t -104.74 112.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.614 -0.884 . . . . 63.42 108.614 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.27 143.7 84.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.477 -0.329 . . . . 71.13 111.07 -176.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.12 -10.26 27.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.805 2.337 . . . . 72.11 112.117 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.99 -18.62 36.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 54.54 109.756 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -11.72 57.11 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.632 -0.713 . . . . 51.22 112.11 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -155.64 137.62 9.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.234 -0.284 . . . . 72.03 110.234 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -91.73 -174.76 6.96 Favored 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.364 -1.515 . . . . 73.44 112.752 0.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG22 HG23 ' A' ' 53' ' ' ILE . 3.6 mp -110.86 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.106 -0.701 . . . . 74.13 109.106 175.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -90.22 113.88 25.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.316 -0.624 . . . . 65.32 109.316 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.538 HG23 HG22 ' A' ' 51' ' ' ILE . 26.9 pt -120.81 158.35 23.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.459 -0.337 . . . . 72.1 110.701 -177.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.78 110.68 20.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.905 -0.405 . . . . 64.11 109.905 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.854 HG12 ' HG2' ' A' ' 56' ' ' ARG . 49.0 t -122.98 131.43 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.856 -0.611 . . . . 62.32 109.887 -178.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.854 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.9 mmt180 63.29 16.18 9.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.343 -0.39 . . . . 74.35 110.679 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.82 -16.19 61.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.015 -0.612 . . . . 74.12 112.17 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -101.71 135.35 43.39 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.099 -0.334 . . . . 71.42 110.099 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -84.08 124.28 30.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.362 0.601 . . . . 73.42 110.765 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 31' ' ' MET . 67.4 mt -114.67 138.82 50.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.404 -0.816 . . . . 63.02 110.197 -176.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.1 m -94.55 106.23 18.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 74.54 109.962 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 tp -107.52 140.92 39.76 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.642 -0.503 . . . . 63.54 109.642 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -79.47 153.74 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 72.24 111.799 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 30.8 ttpt -45.5 -53.18 9.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.587 -1.188 . . . . 72.12 112.369 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 p -63.76 -41.31 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.844 0.312 . . . . 71.21 111.844 -176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.508 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -68.45 -43.58 76.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 70.01 110.822 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.25 84.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.267 0.556 . . . . 70.22 110.901 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.497 ' HA ' ' OG ' ' A' ' 3' ' ' SER . 28.8 tt0 -68.93 -26.09 64.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.544 -0.753 . . . . 74.2 111.182 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 10.0 tpt -83.25 -8.03 59.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.095 -0.502 . . . . 72.32 110.786 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.526 HD11 ' CD1' ' A' ' 28' ' ' ILE . 36.8 mm -91.55 129.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.076 0.465 . . . . 74.24 111.399 -176.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.664 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.4 tt0 -93.68 116.56 29.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.294 -0.866 . . . . 73.53 109.664 177.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 4' ' ' LEU . 28.0 m -124.57 171.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.254 -0.43 . . . . 72.13 110.662 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -123.52 131.13 53.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.077 -0.51 . . . . 74.45 109.707 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.595 HD22 HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 108.92 -0.77 . . . . 72.22 108.92 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 109.326 -0.62 . . . . 75.33 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 84.0 p -98.22 178.57 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.353 -0.385 . . . . 62.32 110.941 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.1 mt -70.84 -8.17 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.364 0.602 . . . . 61.34 110.211 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.734 ' HG3' ' HG2' ' A' ' 68' ' ' GLU . 24.2 mmm180 -85.33 -31.73 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.426 -0.807 . . . . 71.55 110.368 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -82.62 -28.81 30.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.893 -1.048 . . . . 71.21 109.946 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.71 155.24 40.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.488 -0.778 . . . . 73.13 111.238 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -107.26 153.77 22.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 73.4 109.739 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.636 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 9.9 p -58.79 140.83 54.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.678 0.275 . . . . 54.1 110.559 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.42 -22.66 35.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 62.13 112.593 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 53.6 mt-30 -69.89 133.06 46.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.937 0.399 . . . . 62.43 111.131 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -95.53 103.92 15.81 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.602 -0.726 . . . . 75.3 109.539 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 74' ' ' LEU . 22.6 m -113.64 174.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.423 -0.584 . . . . 63.31 109.423 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.661 0.267 . . . . 53.24 110.465 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.35 124.43 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.72 -0.673 . . . . 72.32 110.342 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -117.26 -40.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.22 0.452 . . . . 73.24 112.22 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 50.1 tttm -139.04 149.69 44.92 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.477 -0.489 . . . . 62.5 110.548 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.87 112.87 19.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.957 -0.565 . . . . 62.25 110.006 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -72.59 -9.15 58.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 72.15 111.763 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.72 149.93 48.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.766 -0.73 . . . . 72.32 111.612 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 p -57.44 -79.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.38 . . . . 73.52 111.88 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.91 -57.64 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.205 -0.758 . . . . 64.34 111.205 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.3 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.932 0.396 . . . . 71.21 110.441 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.48 -46.81 83.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.687 -0.688 . . . . 73.32 110.711 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -59.92 -53.61 55.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.094 -0.503 . . . . 71.41 110.764 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -58.48 -40.66 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.525 -0.761 . . . . 64.55 111.495 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 27' ' ' ARG . 17.2 tpt180 -60.52 -47.49 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.632 0.253 . . . . 72.22 111.023 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.789 HD13 HD11 ' A' ' 70' ' ' ILE . 68.5 mt -61.28 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 72.32 111.005 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 68.2 mtm -67.06 -30.81 70.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.997 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.91 -35.81 81.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.735 -0.666 . . . . 50.44 110.704 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 28' ' ' ILE . 67.0 mtm -76.92 -17.47 58.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.848 -0.615 . . . . 73.44 111.001 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.04 -8.76 6.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.6 -0.809 . . . . 53.31 113.356 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.692 HG12 HG21 ' A' ' 55' ' ' VAL . 51.1 mt -97.89 103.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.004 0.402 . . . . 63.43 111.173 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.407 ' HA ' ' HG2' ' A' ' 29' ' ' MET . 12.5 t -128.66 173.05 10.64 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.937 -0.394 . . . . 51.12 109.937 177.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.92 142.29 54.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.28 -0.418 . . . . 74.24 110.379 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.95 -21.45 46.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.933 -0.651 . . . . 74.13 111.923 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.2 m -78.72 148.89 32.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 73.32 110.865 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.27 135.69 33.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.569 -0.741 . . . . 73.42 110.33 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 13' ' ' VAL . 19.8 mm -128.02 116.45 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 73.42 109.656 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 54' ' ' ASN . 4.4 p90 -112.72 130.66 55.98 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.256 -0.978 . . . . 72.42 109.237 171.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.851 ' HA ' HG22 ' A' ' 53' ' ' ILE . 4.4 mp -72.63 111.86 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.675 -0.693 . . . . 75.41 109.893 -175.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -56.84 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.64 -0.709 . . . . 74.52 111.128 -171.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 57.0 tttm -143.44 122.16 12.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.349 . . . . 74.12 110.992 -175.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -108.4 125.95 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.442 -0.345 . . . . 61.13 110.099 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.0 145.73 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.058 -0.349 . . . . 61.43 110.058 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -42.91 -46.49 8.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.915 3.077 . . . . 75.0 113.527 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.64 -35.07 72.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.668 . . . . 74.41 110.526 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.58 -3.12 20.0 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.529 -0.628 . . . . 61.5 111.529 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 27.6 t70 -138.92 124.22 11.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.811 -0.44 . . . . 71.05 109.811 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 42.3 Cg_endo -89.36 -176.36 10.02 Favored 'Cis proline' 0 C--O 1.236 0.389 0 C-N-CA 123.411 -1.496 . . . . 73.31 112.754 -0.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.575 HD11 HH11 ' A' ' 5' ' ' ARG . 73.2 mt -119.02 121.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.943 -0.571 . . . . 62.2 109.799 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 35.2 tt0 -95.43 116.41 28.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.216 0.532 . . . . 74.21 109.937 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.851 HG22 ' HA ' ' A' ' 41' ' ' ILE . 1.4 pp -123.0 148.52 26.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.786 -0.643 . . . . 74.51 110.653 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 24.3 t-20 -97.83 112.92 24.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.862 0.363 . . . . 73.35 110.257 -178.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.724 HG12 ' HG2' ' A' ' 56' ' ' ARG . 23.2 t -119.51 124.51 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 64.4 109.962 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.724 ' HG2' HG12 ' A' ' 55' ' ' VAL . 20.0 mmm180 67.15 12.05 8.73 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 53.44 110.997 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.63 -15.17 58.76 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.138 -0.553 . . . . 64.55 111.834 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -100.94 132.53 46.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.132 -0.322 . . . . 73.35 110.132 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 1.3 pm0 -82.42 124.77 30.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.09 0.472 . . . . 70.31 111.129 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.25 153.58 32.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 62.11 110.153 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.1 t -118.95 107.81 14.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 62' ' ' LEU . 16.6 mt -106.79 142.97 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.446 -0.343 . . . . 75.1 110.336 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -73.75 158.82 33.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.481 -0.562 . . . . 50.43 109.481 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 14.5 ptmm? -53.44 -37.73 62.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.425 . . . . 71.45 111.597 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -56.21 -40.92 74.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.392 . . . . 74.41 111.346 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.73 -34.14 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 61.11 110.953 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.88 -29.88 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.898 0.38 . . . . 63.52 110.988 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.734 ' HG2' ' HG3' ' A' ' 5' ' ' ARG . 48.7 mt-10 -70.29 -13.27 62.09 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.046 -0.525 . . . . 61.54 111.924 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptp -107.57 6.33 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.486 -0.486 . . . . 75.3 111.565 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.789 HD11 HD13 ' A' ' 28' ' ' ILE . 49.0 mm -97.78 118.15 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.997 -0.281 . . . . 61.42 110.568 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 7.8 tp10 -92.88 120.1 32.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.733 -0.84 . . . . 75.14 108.733 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 70' ' ' ILE . 21.3 m -126.58 162.51 30.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.273 0.559 . . . . 70.54 111.725 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -126.02 151.39 47.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 54.13 109.921 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.432 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.131 -0.692 . . . . 75.53 109.131 171.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.416 ' CD2' HG23 ' A' ' 72' ' ' VAL . 69.0 t80 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.961 -0.755 . . . . 71.21 108.961 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.745 ' OG ' ' HA ' ' A' ' 68' ' ' GLU . 28.0 t -88.35 149.82 23.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 65.31 112.046 -173.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.552 HD13 HG11 ' A' ' 72' ' ' VAL . 36.9 tp -63.42 -20.78 65.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.133 -0.94 . . . . 74.52 110.496 176.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.041 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 23.8 ptt180 -78.22 -15.86 58.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 63.12 111.159 -175.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -87.53 -16.38 34.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.944 0.402 . . . . 74.43 110.868 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.558 ' CB ' HG13 ' A' ' 41' ' ' ILE . . . -63.41 154.27 32.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.019 -0.537 . . . . 71.32 110.743 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -116.47 169.42 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.404 -0.362 . . . . 75.24 111.179 -175.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 p -65.82 110.44 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.224 0.535 . . . . 74.11 111.08 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.11 -11.8 22.23 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.872 -0.603 . . . . 72.4 111.83 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.59 145.85 27.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.247 0.546 . . . . 62.53 111.32 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 m -109.25 134.07 52.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.32 -0.855 . . . . 65.52 109.127 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 74' ' ' LEU . 14.0 m -134.46 149.82 30.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.421 -0.215 . . . . 64.51 110.421 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -112.18 125.85 54.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.68 -0.237 . . . . 74.51 110.399 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.723 ' HA ' HG12 ' A' ' 72' ' ' VAL . 58.1 t -71.35 129.39 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.802 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.556 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 3.4 m -116.8 -46.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.288 -0.414 . . . . 72.55 111.697 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 14.4 mptt -130.18 156.94 43.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.893 0.377 . . . . 61.41 110.627 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.02 118.31 20.42 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.655 -0.498 . . . . 73.44 109.655 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -90.51 176.12 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 74.45 109.521 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.92 -177.04 16.37 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.302 -0.951 . . . . 74.44 112.746 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 p -75.26 -77.54 0.12 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.291 . . . . 74.32 111.778 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.66 -58.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.49 -0.862 . . . . 50.34 112.812 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.14 -33.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 71.14 110.693 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 28' ' ' ILE . 61.4 tp -58.33 -43.72 88.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.856 -0.611 . . . . 73.51 110.312 175.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.54 -43.5 98.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 71.2 110.411 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -57.48 -46.69 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 75.01 110.682 175.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -59.21 -47.05 86.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.717 -0.674 . . . . 75.14 110.943 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.529 HG22 ' HB ' ' A' ' 33' ' ' ILE . 74.0 mt -63.38 -42.68 97.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.206 0.527 . . . . 75.14 110.743 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 62.2 mtt -64.66 -50.1 68.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.715 -0.675 . . . . 72.35 111.583 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.39 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.182 0.515 . . . . 75.22 110.368 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.621 ' HE3' HD13 ' A' ' 33' ' ' ILE . 1.8 ttp -63.25 -25.73 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.161 -0.927 . . . . 74.24 110.682 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.46 -18.63 6.04 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.858 -0.687 . . . . 65.43 112.33 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.621 HD13 ' HE3' ' A' ' 31' ' ' MET . 4.1 mp -81.64 103.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.131 0.491 . . . . 73.41 109.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.07 171.06 14.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.056 -0.52 . . . . 63.21 110.717 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -72.21 126.83 30.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.866 0.365 . . . . 71.41 110.751 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.63 -7.13 55.52 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.694 . . . . 34.33 112.695 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.66 144.6 27.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.728 0.299 . . . . 73.24 111.122 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -85.85 120.69 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 72.12 109.959 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 13' ' ' VAL . 27.9 mm -104.19 114.77 44.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.088 -0.505 . . . . 63.31 109.998 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.471 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 48.3 t80 -93.51 112.47 24.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.009 -0.541 . . . . 73.53 109.742 176.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.558 HG13 ' CB ' ' A' ' 7' ' ' ALA . 19.4 mm -85.07 110.15 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.327 -0.62 . . . . 73.43 109.327 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HD2' ' HG2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -102.35 -23.22 13.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.597 -0.441 . . . . 74.43 111.842 -174.725 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 63.8 tttm -150.95 127.26 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.68 0.276 . . . . 73.3 111.113 -176.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.3 t -124.74 122.0 62.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.436 -0.579 . . . . 55.52 109.436 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -70.73 145.26 92.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.569 -0.287 . . . . 71.34 110.78 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 34.0 Cg_exo -58.71 -27.86 84.7 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.905 2.403 . . . . 74.22 112.809 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.6 HD12 ' H ' ' A' ' 49' ' ' ASP . 3.8 pp -100.18 6.69 44.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.037 0.446 . . . . 71.53 110.792 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.22 -35.41 4.48 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.92 -0.582 . . . . 74.43 113.303 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.6 ' H ' HD12 ' A' ' 47' ' ' LEU . 23.1 t70 -118.27 130.37 24.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.996 0.398 . . . . 61.41 111.265 -173.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 98.4 Cg_endo -96.36 172.74 12.62 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.583 -1.424 . . . . 75.31 112.953 -2.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.5 mt -108.17 132.75 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.399 -0.593 . . . . 72.54 109.399 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.582 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 3.9 tp-100 -100.06 115.94 30.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.307 -0.406 . . . . 75.12 109.913 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.548 HG22 HD13 ' A' ' 41' ' ' ILE . 33.0 pt -119.97 139.37 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.88 0.372 . . . . 74.4 110.871 -177.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 86.9 m-20 -95.48 110.93 22.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 74.11 110.551 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.63 HG12 ' HG2' ' A' ' 56' ' ' ARG . 42.4 t -135.5 130.54 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.602 -0.727 . . . . 31.05 109.697 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HG2' HG12 ' A' ' 55' ' ' VAL . 34.2 mmt180 61.47 23.35 13.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.997 0.427 . . . . 75.22 111.269 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.11 -11.6 71.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.978 -0.629 . . . . 71.01 112.588 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -99.41 157.28 16.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.033 0.444 . . . . 51.44 111.12 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -99.37 113.32 25.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.872 -0.604 . . . . 55.01 109.416 171.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD13 ' HG2' ' A' ' 31' ' ' MET . 65.4 mt -102.59 128.26 49.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.639 -0.709 . . . . 74.34 110.631 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 p -90.62 109.72 20.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.123 -0.489 . . . . 64.44 109.863 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.6 tp -106.7 139.73 40.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.176 -0.466 . . . . 62.22 110.631 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.487 ' HG3' ' H ' ' A' ' 65' ' ' SER . 5.2 tpp180 -64.05 137.29 57.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 72.33 109.702 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.69 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 21.9 ptmt -55.6 -36.08 66.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.536 0.208 . . . . 74.31 110.75 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.487 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 40.2 t -61.12 -33.5 73.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.065 -0.516 . . . . 71.22 110.73 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.49 -40.13 57.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.308 -0.405 . . . . 72.23 110.019 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.96 85.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 52.42 111.114 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.041 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 6.0 pt-20 -76.8 0.94 18.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 54.15 111.458 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.4 ttm -111.84 -1.13 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.458 0.647 . . . . 73.55 109.677 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 66' ' ' ALA . 66.7 mt -103.69 130.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.828 -0.624 . . . . 63.13 110.17 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.6 tt0 -97.85 116.82 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.64 . . . . 74.23 109.926 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.723 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.6 m -130.83 -178.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.198 0.523 . . . . 75.02 111.075 -177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.15 144.66 40.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.538 -0.755 . . . . 74.22 109.047 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.536 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 109.246 -0.65 . . . . 64.24 109.246 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.354 0.597 . . . . 72.34 109.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.526 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 14.5 m -86.72 158.54 19.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.382 -0.827 . . . . 74.1 110.158 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.549 HD13 HG11 ' A' ' 72' ' ' VAL . 38.1 tp -58.98 -25.4 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.104 0.478 . . . . 73.53 110.278 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HD3' ' HG2' ' A' ' 68' ' ' GLU . 46.4 ttp180 -53.5 -34.43 58.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.375 -0.83 . . . . 73.14 111.696 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -7.18 58.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 73.14 111.959 -173.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.42 142.09 36.26 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.13 -0.322 . . . . 75.13 110.13 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -98.85 154.31 18.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.899 0.38 . . . . 74.2 110.51 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -65.97 125.5 25.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 70.14 110.429 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 8.85 27.92 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.64 -0.79 . . . . 71.53 112.416 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -114.69 163.97 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 51.12 110.392 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -122.7 115.37 21.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 41.44 109.986 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG22 HD11 ' A' ' 41' ' ' ILE . 34.0 m -119.04 161.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.378 -0.374 . . . . 61.22 110.405 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -119.89 143.18 48.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.915 0.388 . . . . 74.13 110.324 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 33' ' ' ILE . 57.5 t -79.16 129.3 37.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.597 -0.729 . . . . 75.3 110.445 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -114.71 -41.0 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.236 0.458 . . . . 65.23 112.236 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 81.1 tttt -139.26 125.25 19.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.272 0.558 . . . . 62.33 111.006 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.73 115.65 29.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.0 -0.545 . . . . 61.25 110.031 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -93.37 153.36 18.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.361 -0.381 . . . . 71.34 110.222 -178.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.34 -167.43 12.97 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.635 -0.793 . . . . 54.42 113.206 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -86.68 173.95 9.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.557 0.217 . . . . 72.24 110.81 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.81 -41.23 99.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.077 -0.582 . . . . 63.04 112.21 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.65 90.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.91 0.386 . . . . 72.4 111.109 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.3 mm? -70.99 -43.57 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 63.42 110.861 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -60.63 -43.12 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.92 0.39 . . . . 74.14 110.319 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -60.81 -39.11 87.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.917 -0.583 . . . . 72.1 111.344 177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.65 -47.69 82.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 62.12 110.556 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.642 HG22 ' HB ' ' A' ' 33' ' ' ILE . 76.8 mt -61.41 -44.42 98.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 70.44 110.748 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.564 ' HG2' HG22 ' A' ' 34' ' ' THR . 66.7 mtt -67.84 -34.82 77.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.249 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.09 -40.19 92.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.02 0.438 . . . . 74.02 110.261 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.613 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 64.5 mtm -68.19 -25.15 65.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 71.41 110.897 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.02 6.66 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.735 -0.745 . . . . 50.04 112.987 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.642 ' HB ' HG22 ' A' ' 28' ' ' ILE . 55.1 mt -102.95 108.78 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 64.04 111.681 -175.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.564 HG22 ' HG2' ' A' ' 29' ' ' MET . 57.2 p -121.29 177.1 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.097 -0.705 . . . . 72.22 109.097 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 -72.82 135.03 45.14 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.518 -0.473 . . . . 75.13 110.31 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.21 67.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.651 . . . . 53.11 112.271 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -79.25 145.3 33.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 74.25 110.791 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -98.88 136.07 39.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.555 -0.748 . . . . 71.21 110.277 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.427 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 61.3 mt -120.76 122.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 71.45 110.16 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -90.96 102.32 15.08 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.021 -0.733 . . . . 64.31 109.021 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 41' ' ' ILE . 3.9 mp -69.46 116.39 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.394 -0.595 . . . . 72.45 109.394 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -91.68 -48.02 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.586 -0.734 . . . . 64.3 111.129 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -152.28 117.45 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 53.34 111.298 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.515 HG22 HG23 ' A' ' 51' ' ' ILE . 51.3 t -103.88 134.77 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.549 -0.537 . . . . 73.31 109.549 175.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -87.88 143.56 33.57 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.689 -0.485 . . . . 72.24 109.689 173.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.3 Cg_exo -61.29 -21.79 72.75 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.947 2.431 . . . . 73.13 112.713 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -73.82 -24.39 59.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.228 0.537 . . . . 62.43 110.313 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.35 -11.69 43.54 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.769 -0.729 . . . . 45.3 111.466 -174.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 4.2 p-10 -149.69 142.89 16.22 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 110.213 -0.292 . . . . 73.14 110.213 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 93.5 Cg_endo -89.37 155.5 33.15 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.058 -1.643 . . . . 63.5 112.325 -4.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.515 HG23 HG22 ' A' ' 44' ' ' VAL . 64.3 mt -109.62 111.1 34.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.083 -0.508 . . . . 74.35 109.993 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.57 118.51 24.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.094 -0.503 . . . . 73.25 109.884 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.5 pt -122.78 136.92 58.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.047 -0.524 . . . . 75.34 110.141 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -94.1 110.38 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.657 -0.497 . . . . 74.25 109.657 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.681 HG12 ' HG3' ' A' ' 56' ' ' ARG . 53.9 t -120.52 120.77 63.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 72.22 110.356 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.681 ' HG3' HG12 ' A' ' 55' ' ' VAL . 31.6 mtm180 60.38 21.38 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 64.54 111.813 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.87 -1.42 57.99 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.673 -0.775 . . . . 50.33 112.847 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -116.6 131.41 56.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 75.43 110.227 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.91 111.17 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.656 0.741 . . . . 75.33 111.119 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 mt -95.91 127.48 41.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.119 -0.946 . . . . 51.4 110.314 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 p -89.39 105.96 18.13 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.358 -0.608 . . . . 60.34 109.358 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -112.74 130.52 56.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.14 -0.482 . . . . 61.3 109.812 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.83 169.25 15.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.716 0.293 . . . . 74.15 110.615 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 19.1 ptpt -56.94 -35.4 69.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.925 -0.579 . . . . 54.5 111.976 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.8 m -53.81 -53.9 45.95 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.212 0.32 . . . . 72.35 111.528 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.72 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.147 -0.221 . . . . 63.04 111.361 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.45 67.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.805 0.336 . . . . 74.4 111.377 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 58.9 mt-10 -78.86 -25.44 44.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.038 0.446 . . . . 50.03 110.401 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 83.9 mtp -84.66 -11.74 55.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.853 -0.612 . . . . 71.25 111.421 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.465 HG22 HG13 ' A' ' 72' ' ' VAL . 61.4 mt -97.15 112.45 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.808 0.337 . . . . 62.43 110.77 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 10.8 tp10 -82.58 117.07 22.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.739 -0.837 . . . . 71.02 108.739 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.549 HG11 HD13 ' A' ' 4' ' ' LEU . 22.6 m -121.45 158.65 24.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.592 0.711 . . . . 61.11 111.679 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -130.44 142.26 50.5 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.08 -0.964 . . . . 73.04 109.362 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.47 HD13 HG12 ' A' ' 13' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.051 0.453 . . . . 73.02 111.205 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.051 -0.722 . . . . 75.24 109.051 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 16.9 p -86.7 149.44 24.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.151 -0.477 . . . . 51.34 111.061 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 13' ' ' VAL . 55.1 tp -64.31 -24.18 67.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.854 -0.612 . . . . 62.23 110.869 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.556 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 3.0 tmm_? -70.7 -19.0 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 74.11 111.072 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -88.15 -13.34 41.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.108 0.48 . . . . 52.55 110.618 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.21 49.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.981 -0.554 . . . . 54.1 110.093 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.06 157.15 16.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.291 0.567 . . . . 54.34 111.273 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.8 p -66.98 125.52 26.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 72.22 111.043 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.2 -2.63 29.77 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.811 -0.709 . . . . 52.05 111.922 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -106.12 165.55 11.15 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.159 -0.311 . . . . 70.34 110.159 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -125.42 122.23 36.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.995 0.426 . . . . 74.13 110.525 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.723 HG12 HD22 ' A' ' 74' ' ' LEU . 33.6 m -114.69 173.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 64.33 110.925 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -127.52 131.95 50.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.896 -0.593 . . . . 73.33 109.632 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.602 ' HA ' HG12 ' A' ' 72' ' ' VAL . 46.8 t -77.68 114.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.36 -0.607 . . . . 55.25 109.36 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -108.64 -39.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.912 0.387 . . . . 73.33 111.624 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 86.7 tttt -142.23 152.93 43.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.164 -0.471 . . . . 73.15 109.774 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -132.09 111.96 11.92 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 64.21 109.829 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -82.25 -85.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.757 -0.46 . . . . 65.11 109.757 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' A' ' 69' ' ' MET . . . 55.94 -144.07 35.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.738 -0.665 . . . . 72.42 113.067 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 p -118.23 14.1 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.213 0.53 . . . . 63.21 110.498 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.47 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 87.96 -60.78 4.11 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.794 -0.717 . . . . 44.03 111.578 -173.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -27.6 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 73.41 110.831 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 66' ' ' ALA . 54.1 tp -68.79 -33.83 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 74.24 110.384 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' ' HA2' ' A' ' 22' ' ' GLY . 9.1 mtpm? -61.1 -46.26 91.34 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.104 -0.498 . . . . 60.22 110.689 -178.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -61.37 -41.27 96.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.891 -0.595 . . . . 41.55 110.686 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -62.64 -42.01 99.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 61.31 110.9 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.523 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 74.1 mt -65.15 -45.46 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 73.21 110.534 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.533 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 70.5 mtm -63.38 -32.59 74.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 54.51 111.348 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.58 -35.53 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 70.34 111.288 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.523 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 65.3 mtm -76.67 -4.64 44.21 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.434 -0.348 . . . . 73.04 111.346 -177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.47 2.33 47.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.931 -0.652 . . . . 61.21 111.928 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 29' ' ' MET . 36.1 mm -101.19 108.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.754 0.311 . . . . 72.04 110.549 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -136.75 176.17 8.95 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.117 -0.327 . . . . 61.52 110.117 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -69.19 117.26 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.098 -0.501 . . . . 74.23 110.187 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.35 -10.52 11.62 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.122 -0.561 . . . . 43.03 112.264 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.9 m -90.46 148.13 22.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 72.24 111.126 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -97.2 143.93 27.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.31 176.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.426 HG12 HG21 ' A' ' 55' ' ' VAL . 43.1 mt -126.21 120.17 56.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.149 0.499 . . . . 74.11 111.025 -177.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -95.81 108.14 20.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.138 -0.69 . . . . 73.11 109.138 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.2 mp -77.46 125.5 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 61.44 110.118 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HB2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 mmm180 -87.71 -57.04 3.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.802 -0.635 . . . . 63.41 111.214 -175.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 36.8 ttmt -150.52 137.78 19.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.458 -0.337 . . . . 75.31 110.459 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.55 138.41 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.234 -0.654 . . . . 52.31 109.234 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.12 145.23 56.0 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.371 -0.233 . . . . 54.43 110.371 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.5 -20.44 56.98 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.04 2.494 . . . . 74.22 112.937 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -104.32 0.23 28.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 70.51 110.782 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.923 ' HA3' ' HD3' ' A' ' 64' ' ' LYS . . . 126.11 -90.69 0.38 Allowed Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 121.111 -0.566 . . . . 72.01 112.574 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.787 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 5.3 p-10 -107.51 165.32 13.01 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 120.514 0.197 . . . . 64.53 110.733 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.787 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.9 Cg_endo -75.64 137.27 48.88 Favored 'Cis proline' 0 C--N 1.343 0.24 0 C-N-CA 123.318 -1.534 . . . . 72.34 112.982 2.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.65 112.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 73.34 109.404 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.708 ' HB3' ' HB2' ' A' ' 42' ' ' ARG . 21.5 mm-40 -79.43 114.27 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.897 -0.592 . . . . 74.02 110.694 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.509 HG13 ' HB2' ' A' ' 60' ' ' LEU . 39.1 pt -122.68 136.29 59.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.887 -0.412 . . . . 74.1 109.887 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -108.45 109.82 21.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.032 -0.358 . . . . 70.45 110.032 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.72 HG12 ' HG2' ' A' ' 56' ' ' ARG . 58.4 t -136.5 133.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.068 -0.514 . . . . 72.43 110.184 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.72 ' HG2' HG12 ' A' ' 55' ' ' VAL . 4.2 mmp_? 63.44 18.31 10.95 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.962 -0.563 . . . . 73.45 111.083 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.32 67.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.089 -0.577 . . . . 74.14 112.303 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -87.28 136.99 32.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.839 0.352 . . . . 74.02 110.774 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -90.16 112.86 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.765 -0.828 . . . . 74.44 108.765 172.305 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HB2' HG13 ' A' ' 53' ' ' ILE . 85.6 mt -109.69 127.77 54.81 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.763 -0.653 . . . . 74.4 111.421 -173.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -93.9 105.76 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 74.33 109.494 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.9 tp -105.43 134.7 48.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.908 0.385 . . . . 72.33 110.513 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.57 142.49 44.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 73.3 109.64 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.923 ' HD3' ' HA3' ' A' ' 48' ' ' GLY . 18.6 pttp -67.52 -24.99 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.826 -0.35 . . . . 73.05 111.009 -175.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -52.82 -36.55 58.74 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.057 0.456 . . . . 54.41 110.41 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.596 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -77.84 -50.16 12.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 60.25 111.025 174.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -61.59 -29.25 69.91 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.69 0.626 . . . . 42.2 112.69 -172.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 42.4 mt-10 -76.63 -12.05 59.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.886 0.374 . . . . 75.41 111.197 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.454 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 1.1 mpt? -107.05 1.25 24.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.506 . . . . 72.31 110.789 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.642 HG22 HG13 ' A' ' 72' ' ' VAL . 73.5 mt -91.08 133.6 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.573 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.715 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 5.2 tp10 -99.46 109.53 22.09 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.561 -0.533 . . . . 73.33 109.561 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.642 HG13 HG22 ' A' ' 70' ' ' ILE . 30.5 m -126.78 164.51 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.033 0.444 . . . . 62.22 111.072 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -116.29 144.47 44.19 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.364 -0.606 . . . . 75.4 109.364 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.723 HD22 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 N-CA-C 109.503 -0.554 . . . . 74.24 109.503 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.166 -0.679 . . . . 72.43 109.166 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -96.4 172.74 7.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.826 0.346 . . . . 52.33 110.629 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.467 HD13 HG11 ' A' ' 72' ' ' VAL . 32.4 tp -70.71 -16.18 62.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.253 0.549 . . . . 75.21 110.146 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 5' ' ' ARG . 15.2 tpt180 -83.63 -14.48 51.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.958 -0.565 . . . . 74.12 110.103 177.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -81.76 -21.6 37.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.085 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.433 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . -83.19 151.7 25.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.023 -0.535 . . . . 65.12 110.966 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 7' ' ' ALA . 13.5 mptt -118.02 173.7 6.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 74.33 110.978 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.707 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 1.8 p -64.03 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.8 -0.636 . . . . 72.03 111.539 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.68 -15.26 63.71 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.726 -0.67 . . . . 72.04 112.27 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -93.6 126.27 38.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.043 0.449 . . . . 64.54 110.956 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -92.99 118.08 30.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.599 -0.728 . . . . 73.23 110.39 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.417 HG12 HD13 ' A' ' 74' ' ' LEU . 35.4 m -118.91 165.56 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.236 -0.438 . . . . 62.43 110.544 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -121.32 128.71 52.57 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.886 -0.413 . . . . 70.35 109.886 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.623 ' HA ' HG12 ' A' ' 72' ' ' VAL . 61.9 t -70.45 126.27 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.42 . . . . 63.13 110.547 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -117.6 -39.22 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.152 0.427 . . . . 63.23 112.152 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.848 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 12.0 mptt -132.25 140.86 48.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 73.32 111.041 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.485 ' CD2' HD12 ' A' ' 70' ' ' ILE . 81.6 mt -113.71 103.24 11.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.038 -0.727 . . . . 75.33 109.038 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.419 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 36.4 m-70 -85.93 -85.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 64.11 110.275 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.804 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . 59.76 -159.17 22.7 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.128 -0.558 . . . . 43.32 113.405 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.624 HG22 HD23 ' A' ' 24' ' ' LEU . 15.0 t -121.82 21.72 10.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.776 0.798 . . . . 73.44 109.871 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.5 -63.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 70.53 112.361 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.69 -37.65 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.088 0.47 . . . . 63.43 111.325 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.624 HD23 HG22 ' A' ' 21' ' ' THR . 4.1 mm? -62.66 -39.85 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 54.31 111.09 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HE3' ' O ' ' A' ' 19' ' ' HIS . 98.7 mttt -55.24 -52.96 61.71 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.327 0.392 . . . . 74.04 110.885 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -59.25 -52.42 65.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.95 -0.568 . . . . 73.01 111.333 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.643 ' O ' ' HG3' ' A' ' 31' ' ' MET . 41.9 mtp180 -59.14 -48.69 80.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 73.24 111.514 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.591 ' CD1' HD11 ' A' ' 70' ' ' ILE . 77.0 mt -63.74 -32.93 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.009 0.433 . . . . 72.2 110.65 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtm -70.19 -40.75 74.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 63.3 110.771 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.35 -30.91 70.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 73.51 111.292 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 39.9 mtt -66.69 -22.79 66.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 60.15 110.907 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.71 5.09 26.08 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.412 -0.675 . . . . 70.23 111.412 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 39' ' ' ILE . 47.5 mm -98.18 111.5 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 65.42 110.557 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -127.25 173.91 9.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.379 -0.373 . . . . 55.2 110.315 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 35' ' ' ARG . 11.9 mtp180 -68.24 120.23 14.06 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.571 -0.529 . . . . 72.12 109.571 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.86 6.25 30.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.841 -0.695 . . . . 74.52 112.264 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.86 144.36 30.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.598 0.237 . . . . 60.35 110.726 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -89.42 142.34 27.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.299 -0.409 . . . . 64.1 110.428 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 33' ' ' ILE . 56.5 mt -142.45 129.99 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 33.24 109.367 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.604 ' CE1' ' HB3' ' A' ' 54' ' ' ASN . 6.2 p90 -116.43 135.5 53.79 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.982 -0.748 . . . . 75.54 108.982 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.707 ' HB ' ' HA ' ' A' ' 9' ' ' CYS . 27.4 mm -70.34 118.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.667 -0.494 . . . . 74.41 109.667 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' H ' ' HA ' ' A' ' 53' ' ' ILE . 11.8 tpt180 -73.47 -57.99 3.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.933 -0.576 . . . . 73.21 109.778 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -155.35 145.73 21.95 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.974 -0.557 . . . . 71.31 109.728 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 51' ' ' ILE . 55.4 t -110.37 126.78 67.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.424 -0.584 . . . . 75.23 109.424 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.66 144.86 63.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 62.35 110.122 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.5 -21.7 25.07 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.155 2.57 . . . . 73.24 113.433 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.757 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.5 pt? -101.96 3.78 39.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.621 -0.263 . . . . 71.32 111.563 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.37 -23.6 17.99 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.983 -0.627 . . . . 61.41 112.894 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 15.1 t70 -127.02 124.7 24.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.24 -0.281 . . . . 73.0 110.24 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 94.9 Cg_endo -96.79 -165.41 1.08 Allowed 'Cis proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.635 -1.402 . . . . 74.43 112.55 -2.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG22 HG13 ' A' ' 44' ' ' VAL . 17.2 pt -116.67 135.04 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 64.32 110.342 175.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -97.79 128.03 44.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.858 -0.61 . . . . 75.35 109.593 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.472 ' HA ' ' H ' ' A' ' 42' ' ' ARG . 39.4 pt -124.76 156.51 33.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.764 -0.458 . . . . 60.21 109.764 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.604 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 18.1 t-20 -119.51 110.3 16.73 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.717 -0.475 . . . . 63.32 109.717 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.827 HG12 ' HG2' ' A' ' 56' ' ' ARG . 22.0 t -138.12 136.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.102 -0.499 . . . . 71.31 110.139 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.827 ' HG2' HG12 ' A' ' 55' ' ' VAL . 13.0 mmt85 67.52 11.92 8.62 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.729 0.411 . . . . 72.12 111.409 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.25 -2.62 71.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.054 -0.593 . . . . 74.45 112.137 -175.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -107.76 139.29 42.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.971 0.415 . . . . 72.43 110.925 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.81 110.12 21.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.476 0.655 . . . . 64.11 109.801 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 mt -105.42 152.2 23.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.465 -0.789 . . . . 74.34 109.58 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -127.72 114.96 17.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.617 -0.433 . . . . 62.24 110.158 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.92 141.09 38.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.954 -0.566 . . . . 63.23 109.974 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -72.25 155.56 40.07 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.632 -0.427 . . . . 71.21 109.963 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -56.34 -34.68 66.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.521 . . . . 73.5 111.565 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -60.7 -39.84 90.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 42.22 111.409 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.585 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -75.43 -33.95 60.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.047 -0.353 . . . . 55.22 110.047 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' HD11 ' A' ' 51' ' ' ILE . . . -60.62 -43.45 97.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.611 . . . . 62.31 111.399 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.11 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.251 -0.431 . . . . 71.45 111.292 -178.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.804 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 64.6 mtt -91.03 -11.16 39.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 74.13 110.627 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 28' ' ' ILE . 36.7 mm -98.27 129.74 48.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.107 -0.497 . . . . 62.25 110.261 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.848 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.4 tt0 -102.04 125.04 48.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 74.14 109.628 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 15' ' ' VAL . 29.3 m -132.3 174.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.14 0.495 . . . . 74.32 111.331 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -139.15 143.04 38.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.38 -0.827 . . . . 65.13 109.492 177.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.417 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 110.444 -0.206 . . . . 60.21 110.444 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.2 t80 . . . . . 0 CA--C 1.516 -0.331 0 N-CA-C 109.263 -0.643 . . . . 72.51 109.263 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 m -114.06 -176.83 2.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 73.03 110.938 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.606 HD21 HG21 ' A' ' 53' ' ' ILE . 19.4 tp -61.62 -22.32 65.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.782 -0.645 . . . . 73.33 111.009 -178.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HG2' ' HB3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -78.67 -12.66 60.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.819 -0.628 . . . . 52.44 110.871 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.425 ' CG ' ' HE ' ' A' ' 5' ' ' ARG . 4.1 m-20 -91.82 -18.77 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 54.42 111.748 -174.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.94 179.39 7.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.194 0.521 . . . . 65.23 112.11 -173.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -107.5 -176.65 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 72.11 110.149 -178.185 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.517 ' SG ' ' HB ' ' A' ' 44' ' ' VAL . 36.0 m -82.37 141.21 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 62.54 110.66 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.87 5.58 89.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.961 -0.638 . . . . 74.31 112.805 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -87.17 146.33 26.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 73.3 111.241 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 m -103.41 106.79 17.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 74.1 109.801 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -113.01 159.7 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.329 -0.396 . . . . 72.33 110.477 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -120.04 141.92 49.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.802 0.334 . . . . 74.13 111.004 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.62 132.54 31.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.887 -0.597 . . . . 74.24 111.233 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 m -118.02 -42.84 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.033 0.383 . . . . 74.3 112.033 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 55.1 mtmt -135.9 161.7 34.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.54 0.21 . . . . 74.34 110.525 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 61.5 mt -134.97 112.57 10.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.17 0.509 . . . . 65.35 111.127 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 35.7 m-70 -88.99 175.6 7.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.454 -0.793 . . . . 73.24 109.705 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.45 176.29 14.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.401 -0.904 . . . . 71.4 112.915 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -87.42 24.59 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.022 0.439 . . . . 75.12 111.662 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.58 -55.92 4.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.668 -0.777 . . . . 73.02 111.637 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.45 90.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 43.12 110.552 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.33 -46.93 81.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 71.33 110.613 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 97.2 mttt -53.39 -49.26 67.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 72.14 110.239 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.25 -51.22 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 74.11 110.822 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' A' ' 31' ' ' MET . 10.0 ttm180 -54.78 -47.84 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 74.41 110.826 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.746 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 96.0 mt -58.26 -49.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.856 -0.611 . . . . 71.44 110.929 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.4 mtt -62.61 -43.28 99.22 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.095 0.474 . . . . 63.14 110.857 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.43 -0.805 . . . . 73.41 111.414 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.746 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.1 mtm -78.21 -6.15 54.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 64.25 111.116 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.52 4.86 34.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.659 -0.782 . . . . 71.13 112.552 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.706 HG23 HD11 ' A' ' 39' ' ' ILE . 54.0 mt -94.97 95.91 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.311 0.577 . . . . 62.34 110.607 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 p -113.86 172.23 7.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.643 -0.708 . . . . 72.02 110.688 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -73.16 117.35 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 71.53 110.169 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.55 -15.61 22.06 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.701 -0.762 . . . . 72.01 112.955 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.24 145.23 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.28 0.54 . . . . 72.01 110.688 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.33 113.2 25.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.811 -0.631 . . . . 65.41 110.123 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.706 HD11 HG23 ' A' ' 33' ' ' ILE . 64.6 mt -104.33 116.15 47.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.178 0.513 . . . . 53.21 110.825 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -83.04 113.64 20.73 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.382 -0.826 . . . . 74.34 109.639 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -78.31 119.86 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.946 -0.39 . . . . 73.4 109.946 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.72 ' HG3' ' HG2' ' A' ' 43' ' ' LYS . 18.8 tpp180 -78.55 -58.84 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.897 0.379 . . . . 74.23 110.681 -176.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.72 ' HG2' ' HG3' ' A' ' 42' ' ' ARG . 75.0 mmtt -144.02 134.13 24.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 63.11 110.94 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HB ' ' SG ' ' A' ' 9' ' ' CYS . 57.6 t -120.81 124.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.041 -0.726 . . . . 74.23 109.041 172.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 145.23 89.5 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.641 -0.254 . . . . 52.33 110.873 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.93 -23.51 75.96 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.791 2.327 . . . . 74.51 111.889 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.751 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.2 pt? -92.89 9.88 33.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.775 -0.648 . . . . 71.52 110.57 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -79.66 0.32 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.865 -0.607 . . . . 71.42 111.619 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.632 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.4 p-10 -106.49 160.14 27.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 110.111 -0.329 . . . . 74.03 110.111 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.632 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 90.2 Cg_endo -81.15 153.3 81.32 Favored 'Cis proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.166 -1.597 . . . . 52.04 113.152 0.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.448 HG23 HG22 ' A' ' 44' ' ' VAL . 59.1 mt -108.64 115.89 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.83 -0.623 . . . . 73.32 109.743 176.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -98.6 121.48 40.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.668 -0.696 . . . . 74.51 110.291 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 4' ' ' LEU . 30.6 pt -121.22 150.75 24.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.336 -0.393 . . . . 75.24 110.258 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -109.8 110.21 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.844 0.354 . . . . 72.51 110.286 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.604 HG12 ' HG2' ' A' ' 56' ' ' ARG . 59.7 t -111.92 128.16 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 74.13 109.784 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG2' HG12 ' A' ' 55' ' ' VAL . 21.1 mmt180 66.11 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.793 0.683 . . . . 61.33 109.965 -175.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.7 18.07 0.42 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.603 -0.999 . . . . 63.41 110.603 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -124.72 132.72 53.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.619 . . . . 73.21 109.327 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 42' ' ' ARG . 41.5 mt-10 -91.39 130.55 37.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 70.21 111.394 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.06 125.83 52.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.956 . . . . 74.32 110.285 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -97.25 107.05 19.48 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.603 -0.517 . . . . 72.14 109.603 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.9 mt -109.58 142.2 41.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.187 -0.46 . . . . 55.3 110.792 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -78.3 171.58 14.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.549 . . . . 75.1 110.26 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -57.33 -37.07 71.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 72.14 110.879 -173.454 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' A' ' 69' ' ' MET . 18.0 m -59.66 -45.25 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.408 0.521 . . . . 51.12 112.408 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -31.74 61.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 71.5 110.641 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.29 73.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 75.35 111.214 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.623 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 6.1 pt-20 -87.71 3.13 49.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 73.23 110.885 177.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 65' ' ' SER . 67.1 mtt -98.39 -27.03 14.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.956 0.408 . . . . 74.54 110.104 174.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.46 HG12 HD13 ' A' ' 28' ' ' ILE . 56.3 mt -85.99 98.33 6.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.312 -0.404 . . . . 74.54 110.406 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.545 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.2 tp10 -74.42 123.39 24.59 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.579 -0.897 . . . . 72.4 108.579 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -129.17 -176.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.734 0.778 . . . . 73.02 112.217 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -144.3 130.88 20.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.587 -1.188 . . . . 75.44 109.107 175.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.1 tp . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.328 -177.865 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.339 -0.615 . . . . 74.21 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -105.58 148.83 26.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.673 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.28 -25.56 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.435 0.636 . . . . 71.42 109.737 176.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.866 ' HD2' ' HG3' ' A' ' 68' ' ' GLU . 31.6 ttt-85 -58.9 -23.93 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.049 -0.978 . . . . 74.11 111.285 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -114.23 8.22 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.262 0.553 . . . . 73.33 110.841 -172.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 126.83 30.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 73.25 109.905 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 12.2 mptt -77.8 157.02 30.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.3 -175.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.06 130.13 41.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.036 -0.529 . . . . 63.43 110.958 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 4.65 59.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.832 -0.699 . . . . 75.5 112.206 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -94.88 156.52 16.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.092 0.473 . . . . 45.04 110.93 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 m -118.68 114.43 22.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.531 -0.759 . . . . 61.04 109.123 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.39 162.58 12.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.46 . . . . 71.15 111.474 -174.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 38' ' ' GLU . 2.5 tpmt? -119.27 120.34 36.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.56 -0.746 . . . . 75.34 109.473 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.597 ' HA ' HG12 ' A' ' 72' ' ' VAL . 53.0 t -69.34 125.51 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 110.364 -0.236 . . . . 73.24 110.364 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.427 HG23 ' HG2' ' A' ' 71' ' ' GLU . 10.7 m -120.33 -41.95 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.308 0.485 . . . . 75.22 112.308 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.798 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 60.9 mttp -132.09 150.42 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.04 0.448 . . . . 73.03 111.035 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.48 95.28 4.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.412 -0.588 . . . . 63.23 109.412 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -85.42 2.32 44.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.874 -172.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . -65.67 -45.16 90.65 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.79 -0.719 . . . . 65.23 111.808 176.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.429 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 10.7 m 75.23 133.42 0.05 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.21 0.604 . . . . 75.54 112.431 174.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 26' ' ' ARG . . . 55.87 -107.1 0.73 Allowed Glycine 0 C--N 1.334 0.462 0 CA-C-N 115.528 -0.76 . . . . 72.23 113.694 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.74 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.168 0.508 . . . . 72.43 111.733 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.85 -45.47 64.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 72.14 110.637 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 21' ' ' THR . 96.4 mttt -58.25 -48.6 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 74.12 110.839 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 30.5 mmm-85 -57.69 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.01 111.616 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -57.7 -45.1 86.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.838 0.352 . . . . 72.31 110.859 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.616 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 94.9 mt -63.97 -46.48 93.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.084 -0.507 . . . . 75.11 110.962 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.92 -34.79 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 74.33 111.236 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.81 -29.93 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 73.33 110.945 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.616 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 63.8 mtm -81.02 2.43 27.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.07 -0.514 . . . . 62.2 110.905 178.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.98 -5.31 59.45 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.898 -0.668 . . . . 50.23 112.509 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.577 HG12 HG11 ' A' ' 55' ' ' VAL . 27.5 mt -86.25 95.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.446 . . . . 74.15 109.979 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 p -118.77 154.01 33.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 62.12 110.67 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -60.67 121.27 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 71.14 110.006 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.02 -18.79 9.64 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.862 -0.685 . . . . 75.3 112.104 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -84.45 167.39 16.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.875 0.369 . . . . 74.13 110.712 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . 8.2 pt-20 -117.41 140.95 48.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.053 -0.521 . . . . 71.44 110.355 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 55' ' ' VAL . 55.8 mt -124.54 130.18 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.956 -0.566 . . . . 71.34 110.401 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -100.09 120.71 40.27 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.579 -0.737 . . . . 72.52 109.533 173.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.8 mp -94.97 125.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.249 -0.432 . . . . 63.44 110.034 -177.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 54' ' ' ASN . 1.2 mpt_? -97.51 -57.33 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.986 0.422 . . . . 64.42 111.226 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 59.3 mmtt -121.8 130.33 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.102 -0.499 . . . . 74.13 112.246 -172.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.2 t -122.25 123.91 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.925 -1.034 . . . . 73.13 108.377 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 150.12 91.79 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.648 -0.251 . . . . 71.53 110.972 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.52 -17.75 55.76 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.91 2.407 . . . . 73.24 112.66 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.739 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.3 pt? -111.09 6.21 20.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.434 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.48 -78.83 0.25 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 121.03 -0.605 . . . . 74.52 112.645 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.772 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 9.2 p-10 -91.07 149.42 39.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.675 0.274 . . . . 65.23 111.221 -175.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -93.85 157.84 18.3 Favored 'Cis proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.942 -1.274 . . . . 64.41 112.712 -2.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.424 HG22 HG23 ' A' ' 53' ' ' ILE . 63.6 mt -105.08 129.69 57.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.032 -0.531 . . . . 72.41 110.504 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 2.0 mp0 -99.67 112.77 24.97 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.288 -0.415 . . . . 63.01 110.472 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 34.8 pt -125.78 163.74 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 73.22 110.87 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 27.0 t-20 -120.22 122.8 41.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 73.21 110.076 177.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.737 HG12 ' HG2' ' A' ' 56' ' ' ARG . 40.0 t -132.58 129.19 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 75.42 109.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.737 ' HG2' HG12 ' A' ' 55' ' ' VAL . 36.4 mmt180 67.0 9.69 7.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.319 0.387 . . . . 72.13 111.178 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.27 -16.04 60.51 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.627 -0.589 . . . . 55.43 111.627 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.451 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 93.1 m-85 -86.83 152.93 22.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.419 . . . . 74.53 110.72 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -85.56 122.45 29.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 75.3 110.042 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' HG ' HD11 ' A' ' 33' ' ' ILE . 3.6 mm? -119.04 131.32 55.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.251 0.548 . . . . 74.24 110.849 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -122.24 106.67 11.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.804 -0.635 . . . . 61.32 109.722 176.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.72 149.61 29.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.938 0.399 . . . . 75.34 111.055 -176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 5.6 tpp180 -73.55 163.77 27.56 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.88 -0.6 . . . . 71.4 109.939 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.772 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 33.0 ttmt -46.65 -45.03 18.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.135 -0.939 . . . . 75.22 111.606 175.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 p -56.43 -50.69 70.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.73 -0.668 . . . . 50.4 112.464 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.433 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -64.81 -51.93 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 73.43 111.392 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.56 -30.9 67.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.777 0.798 . . . . 43.24 110.982 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.866 ' HG3' ' HD2' ' A' ' 5' ' ' ARG . 32.4 tt0 -69.91 -26.99 64.42 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.458 -1.246 . . . . 73.41 111.28 -175.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.453 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 65.4 mtt -96.48 -3.93 42.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.073 0.464 . . . . 74.33 111.127 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.459 HG22 HG13 ' A' ' 72' ' ' VAL . 70.5 mt -92.17 121.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 64.31 110.494 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.798 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.8 tt0 -97.68 118.9 35.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.585 -0.524 . . . . 73.21 109.585 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.7 m -124.29 163.73 23.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.635 -0.711 . . . . 74.32 110.009 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -117.54 153.02 33.91 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.675 -0.693 . . . . 71.01 109.137 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 71.52 110.41 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.1 t80 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 109.201 -0.666 . . . . 53.22 109.201 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -85.18 160.44 19.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.972 0.415 . . . . 62.12 111.671 -174.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.719 HD13 HG11 ' A' ' 72' ' ' VAL . 47.3 tp -67.39 -31.2 71.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.91 -0.586 . . . . 64.52 110.646 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.07 ' HG2' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.81 -6.56 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 74.51 110.852 179.053 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -96.15 0.29 51.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.729 0.776 . . . . 70.34 109.689 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.27 133.6 34.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.792 . . . . 55.35 110.541 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -78.86 161.84 26.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 73.41 111.502 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 t -65.92 132.24 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.265 -0.879 . . . . 74.42 110.762 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.87 3.67 62.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.954 -0.641 . . . . 72.33 112.688 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -108.48 146.81 32.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.898 0.38 . . . . 74.11 110.995 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -104.58 115.21 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 74.42 110.119 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.479 HG12 HD22 ' A' ' 74' ' ' LEU . 20.8 m -115.08 153.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.051 -0.522 . . . . 72.05 110.114 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -108.88 128.33 54.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.484 0.183 . . . . 74.3 111.128 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.861 ' HA ' HG12 ' A' ' 72' ' ' VAL . 65.9 t -70.89 127.7 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 64.15 110.666 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.579 HG23 ' HG3' ' A' ' 71' ' ' GLU . 5.6 m -112.6 -41.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.502 0.556 . . . . 54.45 112.502 -176.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HB3' ' OE1' ' A' ' 71' ' ' GLU . 4.7 mtmt -144.5 153.32 41.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.059 0.457 . . . . 70.34 111.164 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.546 HD23 HG23 ' A' ' 70' ' ' ILE . 66.6 mt -124.18 124.41 42.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.565 -0.743 . . . . 61.03 110.257 -177.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.557 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 67.7 m-70 -93.24 152.55 19.12 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.752 -0.462 . . . . 62.25 109.752 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.67 161.25 9.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.64 -0.79 . . . . 70.21 112.387 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -90.25 55.27 3.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.913 0.863 . . . . 53.4 111.269 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.16 -64.99 2.71 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.785 -0.643 . . . . 40.14 113.009 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.3 98.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 63.12 111.131 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 49.9 tp -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 71.42 110.498 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 94.2 mttt -59.97 -46.87 88.04 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-O 120.888 0.375 . . . . 75.31 110.482 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -59.11 -45.26 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 61.13 110.863 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -55.02 -51.51 66.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 60.32 110.751 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.655 HG22 ' HB ' ' A' ' 33' ' ' ILE . 81.5 mt -56.97 -45.38 83.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 73.45 111.14 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 61.9 mtm -70.51 -29.24 65.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 73.23 111.441 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.98 -38.35 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 53.12 110.945 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.52 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.9 mpp? -70.05 -17.99 63.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.809 0.338 . . . . 74.45 111.021 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.64 -5.93 14.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.835 -0.697 . . . . 73.11 112.288 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.657 HG23 HD11 ' A' ' 39' ' ' ILE . 18.0 mm -82.39 108.65 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.774 0.321 . . . . 74.21 110.216 -177.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -142.55 -179.42 6.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.706 -0.398 . . . . 70.54 110.663 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -75.89 125.67 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.77 0.319 . . . . 64.32 110.718 -174.577 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.57 7.43 51.29 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.834 -0.698 . . . . 54.3 113.174 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.65 140.74 35.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.068 0.434 . . . . 71.12 110.484 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.1 mp0 -90.66 129.78 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.807 -0.442 . . . . 74.33 109.807 175.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.657 HD11 HG23 ' A' ' 33' ' ' ILE . 59.6 mt -118.84 118.43 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.108 0.48 . . . . 63.2 110.827 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -80.43 114.85 19.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.61 -0.723 . . . . 51.12 109.542 171.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -76.02 103.33 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.363 -0.606 . . . . 75.14 109.363 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -66.26 -56.2 12.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.906 -0.588 . . . . 72.42 110.821 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -152.52 134.14 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.854 0.359 . . . . 73.14 111.373 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.74 131.78 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.964 -0.754 . . . . 73.13 108.964 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.78 145.23 70.2 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.675 -0.239 . . . . 74.24 111.072 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.15 -18.38 57.91 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.831 2.354 . . . . 74.41 112.723 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.9 pt? -106.74 11.2 30.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 64.34 110.511 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 -77.02 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.697 -0.561 . . . . 72.31 111.697 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.743 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 1.9 p-10 -125.68 170.57 9.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.923 -0.399 . . . . 71.51 109.923 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.743 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 59.7 Cg_endo -70.82 139.5 58.09 Favored 'Cis proline' 0 C--N 1.351 0.684 0 C-N-CA 123.809 -1.329 . . . . 63.02 113.121 3.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.7 mt -94.54 121.17 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.575 -0.739 . . . . 74.21 109.288 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 51.3 mt-30 -91.97 118.28 30.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 75.32 110.565 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.406 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.0 pt -120.82 137.11 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.924 -0.58 . . . . 72.13 110.534 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -95.07 110.42 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 50.15 111.005 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.898 HG12 ' HG2' ' A' ' 56' ' ' ARG . 52.2 t -145.3 134.14 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 73.4 110.172 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.898 ' HG2' HG12 ' A' ' 55' ' ' VAL . 35.5 mmt180 67.18 20.86 10.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 122.942 0.497 . . . . 53.44 110.952 175.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.92 12.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.655 -0.783 . . . . 44.44 111.558 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -89.05 157.16 18.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.986 0.422 . . . . 75.42 110.604 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -113.07 110.48 20.53 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.022 -0.733 . . . . 63.44 109.022 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 31' ' ' MET . 51.0 mt -90.27 149.56 22.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.979 -1.009 . . . . 73.11 111.271 -169.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 m -100.63 106.73 18.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.824 -0.625 . . . . 71.24 109.35 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.56 137.7 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.94 0.4 . . . . 73.21 111.004 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.524 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 17.5 tpt180 -73.46 142.41 46.85 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.809 -0.632 . . . . 61.31 109.416 177.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.658 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 22.4 pttm -58.17 -34.49 70.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.493 -0.322 . . . . 74.42 111.52 -176.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -60.17 -44.0 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.98 0.419 . . . . 71.52 111.105 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 73.44 110.644 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 5' ' ' ARG . . . -69.24 -20.75 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 73.32 111.159 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.07 ' HG2' ' HG2' ' A' ' 5' ' ' ARG . 40.2 mt-10 -86.55 -17.04 35.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.518 . . . . 74.45 110.065 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 1.9 tpt -86.75 -16.01 37.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 73.3 110.309 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.546 HG23 HD23 ' A' ' 18' ' ' LEU . 73.9 mt -100.4 132.06 46.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.841 -0.618 . . . . 74.41 110.055 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 16' ' ' VAL . 2.7 pt-20 -106.1 142.83 35.14 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 119.478 -0.889 . . . . 75.21 110.708 171.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -135.51 176.17 9.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.925 -1.034 . . . . 62.54 109.764 -177.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -126.07 144.08 50.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.961 0.41 . . . . 74.55 110.682 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD22 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 108.552 -0.907 . . . . 74.21 108.552 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.629 ' HD2' HG23 ' A' ' 72' ' ' VAL . 70.1 t80 . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 108.751 -0.833 . . . . 75.12 108.751 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.673 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 13.0 m -83.13 151.3 25.78 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.834 -0.621 . . . . 74.11 110.937 -175.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 39' ' ' ILE . 42.1 tp -64.58 -23.57 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 75.11 110.518 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 1.1 ptt180 -64.21 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 74.55 110.571 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 m-20 -88.7 -1.09 57.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.834 -0.621 . . . . 52.51 111.04 -176.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.22 118.44 26.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.607 -0.516 . . . . 65.42 109.607 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.538 ' HA ' HG21 ' A' ' 44' ' ' VAL . 1.3 mptm? -94.84 170.87 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.309 0.576 . . . . 75.33 112.02 -173.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.502 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 5.2 p -60.77 124.28 19.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.255 -0.884 . . . . 72.31 111.286 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.91 -9.79 60.15 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.762 -0.732 . . . . 61.41 112.252 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -93.49 157.83 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.082 0.468 . . . . 74.53 110.567 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -126.86 128.58 46.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.724 . . . . 75.11 109.721 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 HD22 ' A' ' 74' ' ' LEU . 24.5 m -128.05 177.86 5.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.417 -0.356 . . . . 73.34 110.733 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -132.38 126.95 34.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.953 -0.567 . . . . 52.43 110.332 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.888 ' HA ' HG12 ' A' ' 72' ' ' VAL . 60.8 t -78.88 125.68 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.981 -0.377 . . . . 71.11 109.981 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.94 -44.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.144 -0.622 . . . . 70.13 112.462 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.32 137.56 40.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.568 0.699 . . . . 62.22 111.643 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' CD2' HD12 ' A' ' 70' ' ' ILE . 46.8 mt -100.89 119.1 38.2 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.288 -0.869 . . . . 65.21 108.788 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' MET . 52.6 m170 -88.36 -2.92 58.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.752 0.31 . . . . 53.11 111.58 -173.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . -84.9 165.9 40.44 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.696 -0.764 . . . . 75.25 112.273 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 22' ' ' GLY . 1.6 m -85.33 -174.86 5.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.612 -0.514 . . . . 61.34 109.612 177.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.738 ' H ' HG22 ' A' ' 21' ' ' THR . . . -50.65 -43.49 46.46 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.666 0.627 . . . . 45.33 114.666 -173.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.148 0.474 . . . . 72.02 110.882 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' HG ' ' HE1' ' A' ' 69' ' ' MET . 4.2 mm? -72.64 -46.49 53.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 51.53 109.977 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 29' ' ' MET . 99.5 mttt -56.09 -53.71 53.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 72.33 111.084 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -64.8 -33.66 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.51 111.059 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpt180 -61.88 -46.99 86.98 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.141 0.496 . . . . 70.53 110.149 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.6 HG22 ' HB ' ' A' ' 33' ' ' ILE . 63.1 mt -71.41 -37.06 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.555 -0.748 . . . . 65.54 110.881 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 67.9 mtt -65.31 -43.24 91.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 71.5 111.173 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.22 -33.15 70.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.405 0.621 . . . . 61.04 110.279 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.628 ' HE1' HD13 ' A' ' 62' ' ' LEU . 3.0 ttp -67.9 -24.21 65.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.063 -0.972 . . . . 60.45 110.842 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.82 -15.75 16.47 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.089 -0.577 . . . . 51.15 112.072 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.6 ' HB ' HG22 ' A' ' 28' ' ' ILE . 18.2 mt -82.16 115.4 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 51.12 110.183 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 p -131.71 -176.23 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.988 -0.551 . . . . 55.42 110.997 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -81.13 128.88 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.06 -0.348 . . . . 73.1 110.06 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.03 27.45 37.39 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.035 -0.602 . . . . 72.04 112.62 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.83 149.26 28.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.89 0.345 . . . . 75.23 110.516 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.46 120.81 26.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.661 -0.7 . . . . 64.41 109.953 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 4' ' ' LEU . 38.1 mm -112.63 114.48 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.032 -0.531 . . . . 74.53 110.773 -175.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 90.6 t80 -104.18 124.55 49.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 74.31 109.959 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 mm -91.1 118.85 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 74.35 110.694 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 37.2 mmt180 -74.55 -56.73 4.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.747 -0.66 . . . . 74.24 110.506 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 73.4 tttt -147.85 137.67 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.629 . . . . 75.23 111.172 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 8' ' ' LYS . 61.4 t -113.39 123.49 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.791 -0.818 . . . . 73.34 108.791 170.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -71.8 144.47 88.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.591 -0.277 . . . . 45.54 110.629 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 38.1 Cg_exo -62.45 -22.15 73.68 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.949 2.432 . . . . 73.34 112.287 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -80.24 -18.36 49.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.852 -0.613 . . . . 72.4 109.819 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.06 -43.02 1.54 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.649 -0.705 . . . . 55.25 111.657 -178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.708 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.3 p-10 -155.66 167.94 13.21 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.443 -0.577 . . . . 74.03 109.443 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.708 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 56.6 Cg_endo -70.43 147.59 86.39 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.888 -1.297 . . . . 54.44 113.618 2.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.35 132.16 39.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.345 -0.843 . . . . 63.23 109.048 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -98.5 121.57 40.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.245 . . . . 74.04 110.517 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 39' ' ' ILE . 2.7 mp -120.79 158.37 23.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.712 -0.477 . . . . 62.41 109.712 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -118.93 110.14 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.66 -0.496 . . . . 61.41 109.66 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.591 HG12 ' HG2' ' A' ' 56' ' ' ARG . 45.6 t -130.06 129.16 65.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.232 -0.655 . . . . 64.52 109.232 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.591 ' HG2' HG12 ' A' ' 55' ' ' VAL . 5.0 mmt85 63.98 19.73 11.88 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.195 0.521 . . . . 74.51 110.402 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.28 7.24 87.93 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.938 -0.573 . . . . 63.44 112.031 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 130.16 54.74 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.142 -0.318 . . . . 71.54 110.142 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.08 135.34 42.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.729 -0.471 . . . . 52.14 109.729 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.605 HD13 ' HG2' ' A' ' 31' ' ' MET . 84.6 mt -126.76 135.08 50.6 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.807 -0.633 . . . . 73.23 110.8 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -98.27 106.6 18.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 74.54 109.79 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.628 HD13 ' HE1' ' A' ' 31' ' ' MET . 61.6 tp -106.49 141.94 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.113 0.482 . . . . 54.0 110.532 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 139.26 38.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.775 -0.648 . . . . 73.01 109.817 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 49' ' ' ASP . 23.5 pttm -60.27 -30.76 69.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.507 -0.315 . . . . 70.33 111.312 -175.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 m -60.05 -39.35 85.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 74.44 110.865 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.556 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -76.11 -33.69 59.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.06 0.457 . . . . 74.21 110.573 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.29 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.053 -0.521 . . . . 72.2 111.434 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 11.6 pt-20 -92.48 5.77 49.58 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 62.35 112.087 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.507 ' HE1' ' HG ' ' A' ' 24' ' ' LEU . 21.4 ptm -114.68 14.7 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.306 0.574 . . . . 73.13 110.347 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 66' ' ' ALA . 39.2 mm -116.46 134.94 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 74.22 110.756 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.52 115.39 28.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.965 -0.561 . . . . 65.11 109.593 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.888 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.1 m -132.08 169.66 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.916 0.389 . . . . 50.54 110.824 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.86 166.0 21.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.251 -0.432 . . . . 73.15 110.094 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.482 HD22 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 120.929 0.395 . . . . 74.34 110.98 -177.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.0 t80 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.033 -0.729 . . . . 70.22 109.033 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -76.64 141.16 41.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.545 -0.298 . . . . 75.24 111.057 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 62.6 tp -60.48 -33.01 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 73.53 110.258 176.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.493 ' HD3' ' HA2' ' A' ' 48' ' ' GLY . 0.7 OUTLIER -67.07 -28.76 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 74.3 110.483 177.001 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.62 -13.3 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 75.32 111.059 -173.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 -174.1 2.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.942 -0.572 . . . . 74.02 110.534 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -133.18 170.02 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.515 0.198 . . . . 73.15 110.575 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.6 p -74.58 147.75 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.479 -0.328 . . . . 61.14 110.855 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.51 0.08 88.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.969 -0.634 . . . . 22.13 112.278 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -100.17 143.45 30.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 71.32 110.519 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 m -104.99 111.71 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 72.32 110.337 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.445 HG12 HD13 ' A' ' 74' ' ' LEU . 33.7 m -112.73 160.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.083 -0.508 . . . . 64.4 110.87 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 9.3 ttmt -121.2 134.45 55.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 73.34 109.621 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.566 ' HA ' HG12 ' A' ' 72' ' ' VAL . 47.0 t -70.83 121.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 121.126 -0.23 . . . . 53.11 110.491 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -32.03 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.137 0.421 . . . . 64.24 112.137 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.758 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -138.34 123.94 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.727 -0.389 . . . . 70.25 111.609 -178.855 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 70' ' ' ILE . 98.9 mt -103.75 102.87 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.544 . . . . 74.12 109.836 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 69' ' ' MET . 26.4 m-70 -78.76 173.14 12.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.876 0.369 . . . . 75.15 110.126 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.632 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 96.81 176.87 35.25 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.271 -0.731 . . . . 44.13 111.271 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -133.3 118.95 19.14 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.164 0.482 . . . . 61.22 111.062 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.07 -90.74 0.09 OUTLIER Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.934 -0.575 . . . . 65.11 113.748 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.14 57.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.097 0.406 . . . . 64.31 112.097 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.55 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 62.52 110.858 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.632 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -59.72 -53.2 60.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.685 -0.689 . . . . 44.24 110.933 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -57.69 -40.3 79.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.717 -0.674 . . . . 72.32 110.885 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.443 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.681 HG22 ' HB ' ' A' ' 33' ' ' ILE . 59.1 mt -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.725 -0.67 . . . . 61.32 111.585 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.537 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 69.3 mtm -66.31 -34.28 77.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.995 0.369 . . . . 75.22 111.995 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.04 -28.36 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 63.34 110.999 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.9 mtm -81.11 -4.14 54.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 72.04 111.054 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.49 -1.24 34.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.067 -0.587 . . . . 63.22 112.112 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.681 ' HB ' HG22 ' A' ' 28' ' ' ILE . 29.7 mt -96.22 102.45 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 74.32 110.986 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.517 ' HA ' HD11 ' A' ' 18' ' ' LEU . 9.0 t -139.11 165.56 26.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.634 -0.506 . . . . 75.24 109.634 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.36 124.86 21.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.309 0.576 . . . . 71.53 110.433 -177.849 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.54 -31.57 5.9 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.415 -0.811 . . . . 54.4 111.548 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.1 151.82 24.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.792 0.329 . . . . 64.24 110.503 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -102.39 160.98 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 64.43 110.907 179.05 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 33' ' ' ILE . 76.3 mt -135.14 126.47 46.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.554 -0.748 . . . . 60.51 110.004 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 89.0 t80 -89.36 116.24 27.42 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.027 -0.731 . . . . 71.13 109.027 171.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.41 123.19 37.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.972 0.415 . . . . 55.54 111.117 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 14.4 mmt85 -90.34 -57.41 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.828 -0.624 . . . . 74.31 111.326 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 64.1 mmtt -140.71 114.65 9.05 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.16 0.43 . . . . 73.32 112.16 -174.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.0 t -113.64 124.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.558 -0.904 . . . . 71.55 108.558 169.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.49 144.1 93.91 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 120.974 -0.29 . . . . 74.34 110.282 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 53.2 Cg_exo -56.83 -27.73 73.43 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.899 2.399 . . . . 70.25 112.272 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tt -85.12 -44.62 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 71.34 109.642 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.493 ' HA2' ' HD3' ' A' ' 5' ' ' ARG . . . 162.9 -86.85 0.11 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.987 -0.625 . . . . 73.51 112.124 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 6.2 p-10 -84.44 151.24 58.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.518 0.199 . . . . 74.15 110.559 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -88.34 166.33 40.62 Favored 'Cis proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.372 -1.512 . . . . 71.2 112.613 -0.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 49' ' ' ASP . 4.3 mp -117.78 102.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 70.33 109.823 178.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 93.7 mt-30 -89.13 126.99 35.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.852 -0.613 . . . . 71.4 109.887 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 pt -135.74 151.51 29.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.986 -0.552 . . . . 64.33 110.579 -175.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -110.68 110.81 21.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 64.51 109.376 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.63 HG12 ' HG3' ' A' ' 56' ' ' ARG . 38.6 t -114.27 118.6 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 44.34 110.356 -177.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HG3' HG12 ' A' ' 55' ' ' VAL . 36.7 mtp180 69.34 -7.69 0.8 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.662 -0.699 . . . . 74.24 112.124 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.85 -19.43 5.83 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.582 -0.607 . . . . 63.25 111.582 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -90.64 132.68 35.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.11 0.481 . . . . 74.33 110.731 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -90.46 124.0 34.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 73.32 110.231 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.5 156.95 34.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.527 -0.76 . . . . 71.34 110.583 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -127.62 110.72 12.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.69 -0.485 . . . . 72.43 109.69 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.8 mt -106.46 159.36 16.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 74.33 110.785 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -89.67 168.98 11.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.068 -0.514 . . . . 71.34 110.4 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -58.97 -42.2 89.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 61.45 110.785 -176.195 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 m -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.815 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -72.36 -44.98 61.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.047 0.451 . . . . 60.0 111.031 -178.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 4' ' ' LEU . . . -63.52 -33.86 76.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.309 0.576 . . . . 75.31 111.384 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.66 -13.39 51.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.879 -0.601 . . . . 72.13 111.386 -174.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptm -97.33 -1.02 45.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.043 0.449 . . . . 72.43 110.37 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 18' ' ' LEU . 37.0 mm -105.92 126.81 61.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.903 0.382 . . . . 72.22 110.474 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.758 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 2.3 tt0 -97.24 125.29 41.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.693 . . . . 72.14 109.461 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 15' ' ' VAL . 24.6 m -127.07 160.32 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 62.51 111.414 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -104.54 124.8 49.94 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.003 -0.999 . . . . 74.22 109.792 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.445 HD13 HG12 ' A' ' 13' ' ' VAL . 14.0 tp . . . . . 0 C--N 1.31 -1.15 0 N-CA-C 109.686 -0.487 . . . . 65.21 109.686 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.6 t80 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 108.864 -0.791 . . . . 75.24 108.864 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 80.1 p -90.37 172.5 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.97 -0.559 . . . . 15.44 111.179 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.571 HD13 HG11 ' A' ' 72' ' ' VAL . 27.9 tp -64.12 -23.48 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 44.1 110.039 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -83.57 -8.44 59.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.874 -0.603 . . . . 71.43 110.672 177.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -90.5 -11.29 40.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.842 0.353 . . . . 71.23 110.254 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.89 172.2 14.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 72.14 110.279 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 2.9 mptp? -125.01 156.23 38.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.613 -0.267 . . . . 74.3 110.294 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 p -64.15 129.51 40.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 71.01 110.344 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.79 43.63 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.814 -0.708 . . . . 73.42 112.147 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.37 147.93 39.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 60.44 111.227 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -109.07 121.02 44.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.841 -0.618 . . . . 63.54 109.892 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.5 m -120.75 172.5 7.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.287 -0.415 . . . . 71.15 110.301 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 45.1 mtmt -131.83 150.68 52.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.851 0.358 . . . . 71.03 110.457 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.689 ' HB ' ' HA ' ' A' ' 35' ' ' ARG . 38.8 t -80.31 131.17 34.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.801 -0.636 . . . . 74.12 110.496 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.4 m -120.11 -41.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.981 0.363 . . . . 72.15 111.981 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -140.42 139.18 35.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.766 0.317 . . . . 64.25 110.158 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.09 116.4 29.08 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.903 -0.319 . . . . 34.23 110.831 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 69' ' ' MET . 9.2 m-70 -86.67 154.13 21.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.45 -0.574 . . . . 71.22 109.45 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.08 164.04 10.44 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.275 -0.964 . . . . 75.33 112.778 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.28 33.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.876 0.369 . . . . 63.44 111.517 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.27 -64.87 3.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.111 -0.566 . . . . 63.41 112.6 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.61 92.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.62 0.248 . . . . 72.54 111.293 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -61.25 -45.22 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.997 -0.371 . . . . 73.24 109.997 178.208 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -58.66 -47.72 83.48 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.978 -0.556 . . . . 72.24 110.96 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.473 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 1.9 tmt_? -63.13 -36.03 82.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 72.53 110.139 -178.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.02 -41.88 97.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 54.54 110.418 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.516 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 76.0 mt -59.67 -48.97 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 55.1 110.323 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.25 -30.46 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.498 -0.773 . . . . 64.55 111.047 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.94 -35.62 80.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.056 -0.52 . . . . 61.2 111.284 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 65.5 mtm -74.08 -19.73 60.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 73.43 111.25 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.63 -7.81 11.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.944 -0.646 . . . . 23.24 112.366 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.543 HG23 HD11 ' A' ' 39' ' ' ILE . 4.2 mp -83.02 96.41 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.24 0.543 . . . . 63.34 110.084 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 p -118.31 161.16 20.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.686 -0.688 . . . . 53.24 110.1 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 16.2 ptt180 -64.52 141.24 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 73.21 110.537 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.66 -10.53 70.68 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.92 -0.657 . . . . 64.11 112.5 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.51 143.8 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.846 0.355 . . . . 64.13 110.838 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 1.1 mp0 -84.86 130.9 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.631 -0.713 . . . . 73.5 110.543 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.788 HG12 HG22 ' A' ' 55' ' ' VAL . 49.9 mt -120.53 115.07 45.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.895 -0.593 . . . . 75.21 110.016 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 88.6 t80 -93.87 121.57 35.47 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 73.15 109.849 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.2 mm -75.4 102.13 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.784 -0.821 . . . . 73.42 108.784 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.65 ' HD3' ' HG2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -89.61 -54.44 4.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.073 -0.512 . . . . 74.02 111.029 -170.787 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.65 ' HG2' ' HD3' ' A' ' 42' ' ' ARG . 73.5 mmtt -137.61 140.48 40.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 74.44 111.228 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.24 116.26 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.907 -0.775 . . . . 65.02 108.907 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -64.56 143.15 98.58 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 55.13 111.208 -176.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 12.0 Cg_exo -70.61 79.47 1.21 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.035 2.49 . . . . 73.11 111.63 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 tt -179.26 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.194 -1.039 . . . . 75.34 108.194 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.02 -30.31 2.96 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.043 -0.981 . . . . 72.42 111.268 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.7 p-10 -148.59 157.44 41.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.436 -0.579 . . . . 70.54 109.436 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 69.1 Cg_endo -86.28 170.29 42.44 Favored 'Cis proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.44 -1.483 . . . . 71.33 112.901 -0.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -96.25 116.63 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.847 -0.797 . . . . 74.14 108.847 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB3' ' HB2' ' A' ' 43' ' ' LYS . 35.7 tt0 -89.37 112.82 24.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.286 0.565 . . . . 74.42 109.864 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.598 HD11 HD23 ' A' ' 62' ' ' LEU . 33.1 pt -121.35 161.23 21.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 65.5 111.461 -173.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 80.4 m-20 -111.36 110.96 21.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 72.15 110.066 174.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.788 HG22 HG12 ' A' ' 39' ' ' ILE . 28.9 t -125.81 135.72 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.354 -0.61 . . . . 52.53 109.354 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmt85 67.5 -70.95 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.8 0.687 . . . . 60.55 110.316 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.61 21.78 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.644 -0.982 . . . . 53.11 110.644 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -119.72 154.97 33.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.881 0.372 . . . . 61.54 111.443 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.4 110.53 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.524 -0.917 . . . . 75.11 108.524 167.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD12 ' HB ' ' A' ' 55' ' ' VAL . 97.3 mt -113.59 150.19 33.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.778 0.323 . . . . 71.01 110.955 -175.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 p -113.98 110.78 20.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 54.12 110.663 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 53' ' ' ILE . 2.5 mm? -107.15 133.54 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.869 -0.605 . . . . 64.3 110.135 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 63' ' ' ARG . 0.2 OUTLIER -73.58 150.61 41.32 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.796 -0.361 . . . . 73.31 110.028 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -60.79 -31.75 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.437 -0.347 . . . . 70.23 110.39 -177.735 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -61.66 -43.07 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 72.14 110.839 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.96 -39.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.041 0.448 . . . . 45.15 110.53 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.2 77.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 72.21 111.583 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 11.8 pt-20 -79.85 4.2 17.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.939 0.348 . . . . 72.33 111.939 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 16.2 ptm -125.11 8.48 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 74.33 110.619 175.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 3' ' ' SER . 76.5 mt -98.27 117.56 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.501 -0.555 . . . . 54.44 109.501 173.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -82.84 121.38 26.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.595 -0.521 . . . . 63.43 109.595 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG11 HD13 ' A' ' 4' ' ' LEU . 28.6 m -125.53 166.39 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 73.44 112.076 -176.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -128.85 149.39 50.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.069 -0.969 . . . . 73.3 109.406 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.614 0.721 . . . . 55.4 112.548 -172.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.849 ' HZ ' HD23 ' A' ' 74' ' ' LEU . 60.0 t80 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.315 -0.624 . . . . 72.42 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.408 ' OG ' ' HB3' ' A' ' 5' ' ' ARG . 80.5 p -118.01 -177.33 3.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.727 -0.67 . . . . 63.05 110.759 -176.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 53' ' ' ILE . 21.2 tp -66.18 -18.86 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.514 0.673 . . . . 74.35 109.637 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HB3' ' OG ' ' A' ' 3' ' ' SER . 3.0 tpm_? -70.16 -34.99 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 63.12 110.623 176.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -88.77 -18.2 28.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.922 -0.581 . . . . 64.34 111.6 -174.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.546 -0.297 . . . . 74.34 111.452 -177.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -119.07 161.4 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 71.33 111.25 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.514 ' HB3' HG23 ' A' ' 44' ' ' VAL . 9.4 p -73.6 146.97 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 65.44 110.362 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.8 -14.23 65.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.94 -0.648 . . . . 54.12 111.613 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -94.04 158.95 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 72.34 110.354 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -119.12 119.72 35.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.973 -0.558 . . . . 75.1 109.927 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.64 HG12 HD22 ' A' ' 74' ' ' LEU . 31.8 m -120.72 171.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.09 -0.505 . . . . 74.31 109.933 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -129.51 135.0 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.284 -0.265 . . . . 53.55 110.284 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.689 HG21 HG23 ' A' ' 33' ' ' ILE . 61.9 t -75.77 117.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 63.23 110.196 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.31 -29.68 2.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.911 0.708 . . . . 72.41 112.911 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 77.4 tttt -141.74 139.37 32.83 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.727 0.299 . . . . 73.35 110.346 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.95 113.55 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.381 -0.372 . . . . 63.14 110.556 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.17 168.99 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.259 -0.428 . . . . 72.23 110.334 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.88 173.81 17.45 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.739 -0.743 . . . . 64.34 112.068 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -76.15 -79.02 0.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.775 0.321 . . . . 72.12 111.356 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.51 -55.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.89 -0.671 . . . . 70.3 111.594 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.28 -32.93 73.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.627 0.251 . . . . 74.54 110.857 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.1 mm? -63.23 -50.47 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 64.21 110.358 176.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 47.0 mtpt -56.52 -53.34 58.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 72.52 110.758 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.686 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 94.9 mtt180 -65.42 -34.36 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.541 . . . . 74.45 112.142 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -56.45 -42.95 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.203 0.525 . . . . 74.22 110.202 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.634 HG22 ' HB ' ' A' ' 33' ' ' ILE . 77.1 mt -77.2 -52.3 16.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.399 -0.819 . . . . 74.54 111.439 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.686 ' HG3' ' HA ' ' A' ' 26' ' ' ARG . 4.8 ppp? -64.34 -30.5 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.022 -0.535 . . . . 71.04 111.741 -174.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.67 -21.67 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 74.01 111.152 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.52 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 69.5 mtm -89.34 7.01 37.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 70.43 111.191 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 -1.12 37.32 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.477 -0.868 . . . . 52.51 112.45 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 15' ' ' VAL . 24.0 mm -86.57 73.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.106 0.479 . . . . 72.42 109.791 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 35' ' ' ARG . 35.2 p -101.76 22.79 12.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.446 0.536 . . . . 75.12 112.446 -170.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 34' ' ' THR . 63.7 ttt180 71.46 118.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.734 0.646 . . . . 75.55 110.556 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.28 18.2 37.17 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.946 -0.862 . . . . 43.45 110.946 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 33' ' ' ILE . 5.4 p -109.17 132.5 54.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.214 -0.493 . . . . 71.33 110.035 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 139.24 38.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.177 0.513 . . . . 73.12 110.905 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 53' ' ' ILE . 45.5 mm -115.41 114.71 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.287 -0.87 . . . . 63.01 110.422 -177.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.702 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t80 -92.62 100.78 13.23 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.695 -0.854 . . . . 71.43 108.695 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.502 ' HA ' HG22 ' A' ' 53' ' ' ILE . 21.8 mt -71.92 105.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.051 0.453 . . . . 74.22 109.906 -177.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 42' ' ' ARG . 12.3 tpp85 -80.96 -55.19 4.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.69 -0.686 . . . . 62.42 111.832 -172.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.2 138.15 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.741 -0.384 . . . . 63.02 111.558 -168.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.514 HG23 ' HB3' ' A' ' 9' ' ' CYS . 60.6 t -115.83 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.563 -0.532 . . . . 75.31 109.563 175.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.78 146.51 95.66 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.384 -0.371 . . . . 64.41 111.283 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 36.5 Cg_exo -61.66 -16.38 48.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.395 2.73 . . . . 54.43 113.091 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.4 mt -85.83 0.37 53.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.563 . . . . 74.51 110.14 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.15 -32.11 7.5 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.515 -0.766 . . . . 71.23 111.278 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.801 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 18.9 p-10 -155.68 167.52 14.06 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.898 -0.779 . . . . 63.33 108.898 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.801 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.3 Cg_endo -73.71 153.93 99.37 Favored 'Cis proline' 0 C--O 1.235 0.329 0 C-N-CA 123.209 -1.579 . . . . 72.41 112.805 2.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.2 mt -94.23 110.9 24.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.57 -0.9 . . . . 73.44 108.57 174.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -85.89 112.43 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.547 -0.751 . . . . 72.4 109.675 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 39' ' ' ILE . 39.2 pt -120.79 150.33 23.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.065 0.459 . . . . 73.33 110.777 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.702 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 13.3 m120 -96.88 110.34 22.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 51.23 110.47 178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.632 HG12 ' HG2' ' A' ' 56' ' ' ARG . 64.7 t -113.94 117.67 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.285 -0.871 . . . . 60.31 109.548 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.632 ' HG2' HG12 ' A' ' 55' ' ' VAL . 6.3 mmm180 65.09 10.55 6.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.339 -0.846 . . . . 75.51 111.001 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.13 40.37 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 64.11 112.343 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 93.2 m-85 -98.17 156.69 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.61 0.205 . . . . 74.24 110.662 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 54' ' ' ASN . 24.4 mp0 -102.98 115.99 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.813 -0.44 . . . . 72.1 109.813 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 31' ' ' MET . 2.4 pp -133.21 154.59 50.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.087 -0.338 . . . . 72.54 110.087 177.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.666 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 14.0 m -107.57 134.73 50.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 61.13 112.281 -171.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -112.56 142.02 45.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.793 -0.639 . . . . 73.02 110.31 173.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -78.79 159.71 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.655 -0.498 . . . . 64.34 109.655 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HD2' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -57.57 -38.39 74.75 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 111.609 0.225 . . . . 60.11 111.609 -175.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 48.7 m -73.43 -35.6 65.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 42.3 111.017 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.88 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 33.55 110.787 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.04 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.366 0.603 . . . . 73.22 110.948 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -74.81 -17.32 60.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.146 -0.934 . . . . 65.4 110.904 -175.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.5 mmt -81.48 -10.2 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.255 0.55 . . . . 64.23 110.072 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.6 mt -98.18 106.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 74.3 111.048 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 14.2 tp10 -77.3 117.73 19.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 65.01 109.15 176.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 35.1 m -123.64 179.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.171 0.51 . . . . 72.22 111.85 -175.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.08 144.88 23.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.15 -0.932 . . . . 71.23 109.054 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.849 HD23 ' HZ ' ' A' ' 2' ' ' PHE . 1.2 mm? . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 60.0 110.884 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 t80 . . . . . 0 C--O 1.235 0.336 0 N-CA-C 108.74 -0.837 . . . . 74.55 108.74 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.684 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 6.1 m -96.2 159.3 15.03 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.791 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.997 HD23 HG11 ' A' ' 72' ' ' VAL . 2.3 tm? -61.11 -39.46 90.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.771 -0.826 . . . . 71.15 108.771 174.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.592 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 37.9 ttp180 -44.8 -26.74 0.43 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.3 -1.318 . . . . 55.24 112.25 171.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -100.09 -0.55 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.475 -0.33 . . . . 73.13 111.762 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.38 150.93 39.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 74.24 110.709 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -99.5 165.18 11.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 64.05 111.321 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.5 p -78.62 26.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.674 -0.694 . . . . 72.23 112.539 -173.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.34 19.55 0.93 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.934 -0.651 . . . . 44.53 111.672 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -115.45 143.06 45.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.702 0.287 . . . . 74.11 110.912 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -89.27 118.49 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.449 -0.574 . . . . 53.54 109.449 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.7 HG21 HD21 ' A' ' 4' ' ' LEU . 27.5 m -114.18 150.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.09 0.472 . . . . 54.11 110.631 -177.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 30.4 ttpt -128.89 119.33 24.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.898 -0.592 . . . . 73.02 109.63 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.4 t -73.53 128.76 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 62.11 109.734 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 71' ' ' GLU . 11.0 m -114.62 -40.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.39 -0.524 . . . . 74.23 112.14 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.669 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 17.5 ttpt -140.55 151.78 45.01 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.021 -0.272 . . . . 74.31 110.52 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 70' ' ' ILE . 94.4 mt -123.61 114.8 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 110.117 -0.327 . . . . 63.35 110.117 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -89.04 167.95 12.74 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.485 -0.561 . . . . 71.44 109.485 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.54 -177.82 18.92 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.465 -0.874 . . . . 53.44 112.668 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -89.07 31.04 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.467 0.651 . . . . 73.24 110.935 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA2' ' HD2' ' A' ' 25' ' ' LYS . . . 79.58 -59.67 4.39 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.804 -0.634 . . . . 74.4 113.519 175.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.4 -38.32 74.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 62.01 111.138 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 28' ' ' ILE . 2.0 tm? -75.6 -46.19 33.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.088 -0.506 . . . . 73.12 110.455 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -67.05 -30.4 70.45 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 74.02 111.586 -176.377 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -72.8 -38.29 67.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.362 . . . . 75.22 110.089 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -57.27 -36.73 71.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.867 -0.606 . . . . 71.01 110.328 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.633 HG22 ' HB ' ' A' ' 33' ' ' ILE . 64.2 mt -63.95 -49.13 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.694 -0.685 . . . . 64.13 110.629 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.749 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 70.9 mtm -67.9 -33.64 75.1 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 55.43 111.283 -178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.66 -23.94 66.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 73.43 111.017 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.561 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 68.7 mtm -87.52 -23.25 24.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 74.34 111.36 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.4 -29.56 2.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.962 -0.637 . . . . 61.03 112.188 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.885 ' HA ' HG21 ' A' ' 55' ' ' VAL . 4.5 mp -74.2 96.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.119 0.485 . . . . 52.12 110.133 -177.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.749 ' HA ' ' HG2' ' A' ' 29' ' ' MET . 13.7 p -112.08 174.32 5.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.937 -0.574 . . . . 60.13 111.266 -175.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -78.88 121.09 24.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.887 0.375 . . . . 72.15 110.023 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.43 7.95 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.072 -0.585 . . . . 61.31 112.005 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HA ' ' NH1' ' A' ' 56' ' ' ARG . 23.2 p -115.44 154.12 29.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.258 -0.275 . . . . 72.43 110.258 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -96.78 132.26 42.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.584 . . . . 53.22 109.728 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.632 HD11 HG23 ' A' ' 33' ' ' ILE . 63.3 mt -133.32 133.84 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.235 0.54 . . . . 73.13 110.508 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -102.27 122.13 43.61 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.93 -0.577 . . . . 70.3 109.576 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.417 HD11 HD21 ' A' ' 4' ' ' LEU . 43.4 mm -79.99 117.83 26.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.582 -0.525 . . . . 64.34 109.582 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -90.39 -47.79 7.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.439 -175.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -156.27 146.37 21.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 75.14 111.181 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.16 125.43 74.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.165 -0.68 . . . . 62.41 109.165 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.4 145.65 95.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.555 -0.293 . . . . 44.44 111.098 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.54 -28.86 88.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.026 2.484 . . . . 53.24 113.076 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.809 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.7 pt? -91.87 -1.16 57.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.132 0.491 . . . . 72.42 110.691 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.31 -71.74 0.32 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 121.048 -0.596 . . . . 71.22 111.798 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.721 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 4.0 p-10 -117.73 163.63 23.29 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.172 -0.307 . . . . 72.53 110.172 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.721 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 1.5 Cg_endo -83.98 145.69 49.56 Favored 'Cis proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.881 -1.3 . . . . 61.21 112.917 0.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -93.96 125.29 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.265 -0.643 . . . . 72.13 109.265 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -81.27 111.23 17.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.808 -0.442 . . . . 63.04 109.808 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.11 152.0 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.295 -0.411 . . . . 72.51 111.14 -176.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 43.4 t-20 -122.43 110.25 15.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.39 -0.596 . . . . 71.32 109.39 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.885 HG21 ' HA ' ' A' ' 33' ' ' ILE . 8.8 p -108.08 127.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.733 -0.667 . . . . 72.23 110.725 -175.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' HG2' HG22 ' A' ' 55' ' ' VAL . 28.1 mmt180 62.36 -84.86 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.288 -0.634 . . . . 72.43 109.288 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.94 34.56 1.02 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.457 -1.057 . . . . 75.35 110.457 172.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.418 ' HE2' HD21 ' A' ' 60' ' ' LEU . 2.9 t80 -131.52 129.22 40.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.831 -0.433 . . . . 73.51 109.831 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -105.71 119.27 38.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.396 0.617 . . . . 73.14 111.331 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.418 HD21 ' HE2' ' A' ' 58' ' ' TYR . 63.4 mt -132.25 171.42 13.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.356 -0.838 . . . . 73.11 110.859 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.8 m -98.64 126.73 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 70.45 109.788 171.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.4 tp -104.72 148.0 27.06 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.636 -0.505 . . . . 72.21 109.636 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -83.96 158.46 21.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.22 0.533 . . . . 71.24 111.168 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 85.8 tttt -62.7 -48.76 77.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.927 -1.033 . . . . 63.43 110.747 -178.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 69' ' ' MET . 12.0 p -65.6 -42.3 91.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 62.44 110.693 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -62.89 -41.75 99.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 43.43 110.58 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.4 68.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 73.34 111.958 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.684 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 14.1 pt-20 -98.06 -2.15 40.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.443 -0.503 . . . . 75.3 111.309 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 65' ' ' SER . 66.2 mtt -97.18 -9.55 27.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 52.41 110.155 174.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 66' ' ' ALA . 71.4 mt -91.23 121.84 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.138 -0.483 . . . . 65.4 111.075 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.669 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 3.7 tt0 -80.37 112.57 17.83 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.712 -0.847 . . . . 55.43 108.712 172.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.997 HG11 HD23 ' A' ' 4' ' ' LEU . 19.5 m -120.82 162.04 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.392 0.615 . . . . 73.42 112.062 -177.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.32 130.0 56.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.868 -1.06 . . . . 73.2 109.034 173.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.316 -0.877 0 N-CA-C 108.141 -1.059 . . . . 63.3 108.141 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.925 0.393 . . . . 74.31 110.441 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -109.38 112.97 25.39 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.762 -0.829 . . . . 74.01 108.762 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.418 ' HB2' ' HG3' ' A' ' 5' ' ' ARG . 1.9 m -105.3 176.15 5.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.984 -0.553 . . . . 64.43 110.38 -175.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.571 HD13 HG11 ' A' ' 72' ' ' VAL . 44.6 tp -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 63.44 110.188 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 7.0 ppt_? -79.57 -6.43 57.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 74.52 111.336 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -88.69 -5.97 57.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 64.32 110.376 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.11 151.1 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 72.34 110.462 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -98.9 149.53 22.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 65.44 109.995 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.431 ' HB3' HG23 ' A' ' 44' ' ' VAL . 1.5 p -69.69 110.65 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.295 0.569 . . . . 72.52 110.358 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.02 -9.69 6.68 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.387 -0.824 . . . . 51.22 111.279 -173.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.697 ' HB3' HD21 ' A' ' 74' ' ' LEU . 97.2 mt-30 -101.01 165.71 11.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 54.04 110.824 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -118.05 121.02 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 72.31 110.449 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 39' ' ' ILE . 27.9 m -116.97 164.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.041 0.448 . . . . 64.12 110.668 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -133.49 137.49 45.68 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.85 -0.614 . . . . 65.41 110.038 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' A' ' 72' ' ' VAL . 44.1 t -77.09 131.06 35.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.992 -0.549 . . . . 74.25 110.737 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.544 HG23 ' HG2' ' A' ' 71' ' ' GLU . 4.6 m -115.62 -58.13 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.391 -0.368 . . . . 74.41 110.992 176.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 99.1 mttt -118.02 160.5 21.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 74.42 110.638 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -130.78 110.12 11.1 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.249 -0.648 . . . . 73.24 109.249 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.623 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 61.0 m-70 -86.83 163.65 17.1 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.003 -0.369 . . . . 64.53 110.003 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.51 178.0 15.45 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 72.45 112.59 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -81.27 31.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.212 0.449 . . . . 75.23 112.212 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.94 -61.36 4.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.896 -0.669 . . . . 74.52 112.636 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.37 -37.32 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 74.44 111.171 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 28' ' ' ILE . 59.4 tp -62.74 -43.51 98.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 63.32 110.085 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.2 -42.04 94.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.994 -0.548 . . . . 74.22 110.206 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -61.21 -42.57 98.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.556 -0.747 . . . . 75.34 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.11 -45.65 87.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 61.44 110.278 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.536 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 88.5 mt -58.56 -50.21 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 64.14 111.217 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 71.2 mtm -67.76 -30.62 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.665 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.75 -35.14 78.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 72.31 110.818 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.536 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 66.5 mtm -74.12 -17.68 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.943 -0.571 . . . . 53.13 111.353 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.21 -20.33 7.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.781 . . . . 64.11 112.321 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' A' ' 28' ' ' ILE . 21.9 mm -69.87 102.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.344 -0.613 . . . . 72.1 109.344 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 p -126.75 156.31 41.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.25 -0.432 . . . . 72.21 112.136 -170.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.4 106.4 2.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 73.33 110.397 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.27 -26.22 5.84 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.032 -0.604 . . . . 74.03 112.51 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 p -71.71 144.37 49.33 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.991 0.396 . . . . 71.03 110.283 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.33 141.33 28.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 71.51 109.919 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 55' ' ' VAL . 54.2 mt -124.46 116.27 47.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 54.01 110.262 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -91.05 108.75 20.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.777 -0.823 . . . . 73.12 108.777 174.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.421 ' HA ' HG22 ' A' ' 53' ' ' ILE . 13.5 mm -68.53 113.51 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.591 -0.522 . . . . 64.4 109.591 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -88.99 -56.42 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.178 -0.465 . . . . 63.43 111.113 -171.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . 58.1 tptt -147.92 123.64 10.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.791 0.329 . . . . 73.11 111.041 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 9' ' ' CYS . 58.5 t -108.97 121.19 61.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.518 -0.549 . . . . 75.45 109.518 175.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.27 145.55 98.63 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 73.05 110.728 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.013 2.475 . . . . 72.53 112.685 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.2 -10.96 59.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.283 0.563 . . . . 72.32 110.137 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.33 -19.25 55.11 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.492 -0.776 . . . . 74.31 111.393 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' HD2' ' A' ' 63' ' ' ARG . 31.7 t70 -144.63 141.74 18.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.424 -0.388 . . . . 62.34 110.119 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -90.96 171.32 24.89 Favored 'Cis proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.508 -1.455 . . . . 62.31 112.718 -2.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG22 HG23 ' A' ' 53' ' ' ILE . 65.2 mt -107.7 117.39 53.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 72.54 110.568 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 43' ' ' LYS . 2.0 mp0 -84.34 121.49 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 71.34 109.962 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 HG22 ' A' ' 51' ' ' ILE . 24.4 pt -135.72 151.31 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.011 -0.54 . . . . 73.23 110.632 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 44.7 t-20 -110.53 112.1 23.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.374 -0.602 . . . . 73.05 109.374 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 56' ' ' ARG . 43.1 t -129.98 130.99 66.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 75.43 110.223 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.773 ' HG2' HG12 ' A' ' 55' ' ' VAL . 28.3 mmt180 62.73 15.68 8.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.079 -0.509 . . . . 63.41 111.501 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.92 -7.01 60.48 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.934 -0.651 . . . . 73.14 112.202 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -101.14 128.39 47.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.675 -0.491 . . . . 75.35 109.675 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 32.4 tt0 -103.49 114.67 29.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.523 0.678 . . . . 72.32 109.304 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 pp -139.98 174.89 10.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.194 -0.912 . . . . 74.52 111.344 -171.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.7 m -107.92 124.05 49.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.802 -0.635 . . . . 74.25 109.966 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.4 tp -106.37 134.55 49.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.39 -0.596 . . . . 74.34 109.39 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HD2' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -65.52 137.35 57.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.956 -0.565 . . . . 72.31 110.249 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.89 61.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 51.34 110.69 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -52.87 -46.16 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 62.15 110.661 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.09 -44.34 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 54.22 110.683 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.61 65.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.186 0.517 . . . . 75.31 111.63 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -79.24 -10.96 59.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.706 -0.679 . . . . 75.25 110.982 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.623 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -109.91 -19.25 13.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 71.11 110.901 -177.287 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.507 HG22 HG13 ' A' ' 72' ' ' VAL . 74.5 mt -75.84 134.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 71.51 110.965 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.544 ' HG2' HG23 ' A' ' 16' ' ' VAL . 3.2 tt0 -99.22 112.86 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 74.54 110.072 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG11 HD13 ' A' ' 4' ' ' LEU . 29.3 m -126.55 170.77 16.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.528 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.33 136.54 53.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.055 -0.52 . . . . 75.24 110.162 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 11' ' ' GLN . 1.2 tm? -80.24 92.98 5.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.298 -1.001 . . . . 73.34 108.298 174.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -77.26 110.99 12.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.186 0.517 . . . . 72.32 110.523 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -112.84 90.94 3.48 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.56 -0.746 . . . . 72.55 109.857 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -106.65 162.89 13.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.133 -0.691 . . . . 73.21 109.133 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -100.12 162.08 13.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.47 -0.492 . . . . 65.24 110.747 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -96.27 150.38 20.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.933 -0.576 . . . . 72.24 109.821 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.01 175.2 13.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.215 -0.291 . . . . 65.31 110.215 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 34.7 m80 . . . . . 0 C--O 1.243 0.761 0 CA-C-O 118.462 -0.78 . . . . 64.02 109.893 175.494 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HE1' ' O ' ' A' ' 68' ' ' GLU . 23.4 ptm . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.619 0.247 . . . . 75.12 110.436 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -118.87 104.56 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.441 -0.577 . . . . 52.45 109.441 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 85.0 p -97.07 173.87 7.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.324 -0.398 . . . . 60.12 110.277 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.603 HD13 HG11 ' A' ' 72' ' ' VAL . 23.9 tp -65.33 -19.07 65.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.392 0.615 . . . . 52.04 110.018 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -74.36 -23.87 59.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.161 -0.927 . . . . 62.33 111.31 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.32 -12.41 58.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.55 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.22 148.53 29.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.97 0.414 . . . . 62.24 110.91 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB2' ' OE1' ' A' ' 11' ' ' GLN . 35.3 mmtp -101.54 170.8 7.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 72.22 110.852 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.64 103.68 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.784 -0.644 . . . . 72.41 111.442 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.64 -24.48 6.44 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.819 -0.628 . . . . 72.43 112.123 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 10.4 mp0 -71.48 124.62 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.745 0.307 . . . . 70.52 110.591 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -99.19 110.48 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.287 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.424 HG12 HD13 ' A' ' 74' ' ' LEU . 33.2 m -113.38 170.47 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.07 -0.514 . . . . 65.31 110.379 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 5.7 tmmm? -130.6 128.36 40.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.8 -0.445 . . . . 75.3 109.8 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.697 HG23 HD13 ' A' ' 39' ' ' ILE . 78.7 t -70.49 127.8 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 71.14 110.844 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.17 -35.7 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 64.33 112.142 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 35.5 ttpt -141.45 148.84 40.17 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.883 0.373 . . . . 64.33 110.132 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -120.14 117.65 28.47 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.952 -0.388 . . . . 72.21 109.952 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -73.43 -31.39 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.872 -0.603 . . . . 55.14 111.137 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.615 ' HA3' ' HB3' ' A' ' 24' ' ' LEU . . . -56.22 123.23 30.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.873 -0.68 . . . . 75.11 111.86 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -70.8 85.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.596 . . . . 54.23 111.783 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.676 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . 72.16 -75.32 0.79 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.085 -0.961 . . . . 50.4 114.113 172.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.14 79.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 70.15 110.935 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.615 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . 1.7 tm? -68.63 -41.21 79.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.956 -0.566 . . . . 62.13 110.211 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -70.41 -27.68 64.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 41.11 110.939 -176.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -77.46 -36.34 52.99 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.503 -0.554 . . . . 63.13 109.503 177.109 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -58.04 -45.28 87.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.719 -0.673 . . . . 74.02 110.689 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.464 HD13 HG12 ' A' ' 70' ' ' ILE . 52.6 mt -57.95 -40.68 77.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.213 0.53 . . . . 65.34 110.378 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.07 -30.34 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 71.21 110.898 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.89 -31.46 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 71.23 111.574 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -79.72 -12.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.971 -0.291 . . . . 72.53 111.033 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.61 4.65 28.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.484 -0.865 . . . . 72.51 112.895 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.2 mp -104.92 114.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.928 -0.397 . . . . 54.12 109.928 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -139.17 170.05 16.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.805 0.336 . . . . 65.24 110.281 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -63.13 131.42 48.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.013 -0.54 . . . . 65.32 111.102 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.4 -17.36 47.27 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.712 -0.676 . . . . 65.3 112.351 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.0 m -88.41 154.34 20.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.37 . . . . 73.4 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.49 128.14 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.564 . . . . 63.22 110.516 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.697 HD13 HG23 ' A' ' 15' ' ' VAL . 4.5 mp -125.06 122.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 64.32 109.856 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 30.3 p90 -114.89 135.91 53.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.535 -0.543 . . . . 74.02 109.535 172.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 mm -75.74 138.39 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.94 -0.573 . . . . 75.1 110.751 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -87.77 -53.29 4.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.943 -0.571 . . . . 61.32 109.907 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.05 139.34 22.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 72.2 110.689 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.46 111.73 36.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.023 -0.732 . . . . 54.02 109.023 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 143.57 91.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.53 -0.305 . . . . 52.32 110.563 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.66 -9.16 23.42 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.843 2.362 . . . . 74.24 112.972 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.1 mt -87.46 -10.89 50.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 71.44 109.896 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.43 -30.19 9.54 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.261 -0.736 . . . . 73.12 111.261 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.579 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 2.2 p-10 -151.47 161.33 29.97 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 109.044 -0.725 . . . . 72.14 109.044 175.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.579 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 78.1 Cg_endo -78.41 159.46 92.32 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.417 -1.493 . . . . 64.41 113.138 -0.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -102.97 113.89 41.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.419 -0.809 . . . . 73.22 109.626 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -87.82 119.49 28.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.514 -0.55 . . . . 73.12 109.514 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.522 HD11 ' HB2' ' A' ' 60' ' ' LEU . 2.8 pp -121.12 155.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.594 0.235 . . . . 74.5 110.931 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -116.84 108.89 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.872 -0.418 . . . . 72.2 109.872 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.841 HG12 ' HG2' ' A' ' 56' ' ' ARG . 26.4 t -141.93 140.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.378 -0.601 . . . . 62.5 109.378 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.841 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.2 mmm180 65.29 17.01 10.84 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.328 0.392 . . . . 73.34 110.731 177.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 -2.92 87.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.975 -0.631 . . . . 44.01 112.267 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.563 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 96.2 m-85 -98.89 142.84 29.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.754 -0.263 . . . . 74.13 110.955 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.08 109.98 21.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.843 -0.799 . . . . 74.13 108.843 167.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.522 ' HB2' HD11 ' A' ' 53' ' ' ILE . 90.7 mt -114.69 132.32 56.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.073 0.463 . . . . 64.33 111.539 -172.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -84.58 106.5 16.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.323 -0.853 . . . . 72.53 109.17 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -105.93 134.66 48.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.925 0.393 . . . . 75.15 110.059 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.475 ' HD3' ' H ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.093 -0.503 . . . . 65.04 109.832 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' CG ' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -56.87 -27.72 60.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 74.3 111.622 -178.688 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.461 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 5.6 m -58.55 -44.41 89.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 73.13 110.672 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.53 -37.78 59.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.618 176.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . -60.73 -30.83 70.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.057 -0.52 . . . . 50.41 111.539 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 41.5 mt-10 -64.36 -34.09 77.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.183 0.516 . . . . 75.44 110.788 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.4 mtt -87.23 0.6 55.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 74.14 111.186 -174.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.538 HG22 HG13 ' A' ' 72' ' ' VAL . 59.8 mt -98.58 109.69 24.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.919 0.39 . . . . 74.31 110.647 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.8 tp10 -83.7 112.1 19.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.914 -0.773 . . . . 71.35 108.914 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.603 HG11 HD13 ' A' ' 4' ' ' LEU . 29.8 m -119.69 161.14 19.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.186 0.517 . . . . 74.52 111.24 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -123.2 133.62 54.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.341 -0.845 . . . . 72.42 109.263 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.469 HD12 ' H ' ' A' ' 75' ' ' GLU . 20.9 tp -102.97 141.21 36.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.461 -0.336 . . . . 51.33 110.395 -175.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.469 ' H ' HD12 ' A' ' 74' ' ' LEU . 10.1 tp10 -60.82 130.71 47.85 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.938 -0.574 . . . . 72.13 110.698 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 37.6 m80 59.08 74.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.914 0.759 . . . . 63.02 110.8 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -108.66 154.87 21.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.084 -0.962 . . . . 74.14 110.299 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 64.65 21.86 12.49 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.735 0.647 . . . . 73.33 109.56 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -84.15 92.43 7.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.376 -0.829 . . . . 75.25 110.614 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -103.1 89.18 3.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.467 -0.568 . . . . 73.11 109.467 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.248 -0.882 . . . . 73.01 109.599 -179.748 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG3' ' OE1' ' A' ' 71' ' ' GLU . 23.1 ttt . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.688 0.28 . . . . 54.24 110.425 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.527 ' HZ ' HD23 ' A' ' 74' ' ' LEU . 25.8 t80 -98.89 92.61 5.61 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.597 -0.89 . . . . 62.43 108.597 176.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 27.2 p -86.73 159.45 19.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.072 -0.513 . . . . 72.34 111.197 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.597 ' CD1' HG21 ' A' ' 13' ' ' VAL . 52.5 tp -63.61 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.725 -0.67 . . . . 74.01 110.62 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HG2' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -71.23 -33.38 69.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.709 -0.678 . . . . 74.31 110.073 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.97 -30.82 70.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.124 -0.489 . . . . 74.34 111.464 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 159.57 30.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.783 0.325 . . . . 61.25 110.802 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -108.24 -178.67 3.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.77 0.319 . . . . 73.33 110.615 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.4 m -68.77 144.43 54.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 53.14 110.956 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . 87.52 2.11 82.68 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.961 -0.637 . . . . 62.54 113.081 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.26 149.69 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.175 0.512 . . . . 74.32 110.988 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.4 m -103.93 114.65 29.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.423 -0.808 . . . . 54.41 110.455 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.597 HG21 ' CD1' ' A' ' 4' ' ' LEU . 29.5 m -114.93 134.59 57.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 70.14 111.212 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -94.87 134.66 37.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.165 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.722 HG21 HG23 ' A' ' 33' ' ' ILE . 24.3 t -77.77 114.59 18.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 75.02 110.53 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 m -115.01 -47.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.283 0.475 . . . . 65.12 112.283 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.849 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 94.9 mttt -133.01 151.75 52.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 74.24 111.198 -176.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -127.37 107.83 10.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.614 -0.721 . . . . 72.03 109.649 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -87.2 -3.84 59.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 73.4 111.022 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.14 166.36 52.57 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.919 -0.582 . . . . 70.22 112.982 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.5 p -76.54 176.24 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.226 0.21 . . . . 55.0 110.829 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.33 94.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.226 -0.511 . . . . 74.53 113.372 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 72.34 111.093 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 28' ' ' ILE . 4.6 mm? -64.51 -49.2 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 53.02 110.452 178.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' THR . 14.0 ttmt -53.99 -49.84 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 73.43 111.109 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -56.41 -47.34 79.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 72.22 111.357 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 31' ' ' MET . 59.6 ttt180 -66.65 -41.53 88.07 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 41.2 110.371 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.486 HG22 ' HB ' ' A' ' 33' ' ' ILE . 73.3 mt -61.98 -41.59 91.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.512 0.672 . . . . 71.41 110.291 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.1 mtm -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 73.11 111.104 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.18 -29.29 70.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.487 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 34.2 mtt -72.65 -14.65 61.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 71.01 110.805 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.17 3.0 38.83 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.423 -0.671 . . . . 53.24 111.423 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.722 HG23 HG21 ' A' ' 15' ' ' VAL . 57.3 mt -94.16 91.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.376 -0.602 . . . . 71.13 109.376 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -121.66 -57.46 1.81 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 73.13 112.278 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -175.35 137.74 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.253 -0.885 . . . . 73.51 110.1 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.55 -28.79 2.68 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.025 -0.607 . . . . 60.2 113.398 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 74.42 110.466 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 130.18 53.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.743 -0.662 . . . . 73.04 109.853 175.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.456 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 66.5 mt -109.03 123.81 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 115.353 -0.839 . . . . 71.13 110.493 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 71.0 t80 -86.99 108.8 19.0 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.231 -0.895 . . . . 74.35 109.819 172.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.48 110.61 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.201 -0.666 . . . . 64.0 109.201 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -51.74 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.01 110.572 -172.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -159.01 123.01 3.91 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.403 -0.519 . . . . 70.21 111.336 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.814 HG13 HG12 ' A' ' 51' ' ' ILE . 42.4 t -97.31 130.06 46.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.886 -0.597 . . . . 75.51 109.491 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.74 144.19 90.59 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.463 -0.335 . . . . 55.21 110.291 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.91 -19.85 69.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.675 2.25 . . . . 74.43 112.043 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.01 -25.1 62.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.361 0.6 . . . . 74.22 110.039 175.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . 95.13 -15.07 64.13 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.246 -0.888 . . . . 53.35 111.693 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.512 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 26.3 t70 -144.61 125.55 7.68 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.527 -0.336 . . . . 64.51 110.149 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 89.6 Cg_endo -94.61 -174.7 5.19 Favored 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.398 -1.501 . . . . 72.32 112.643 -4.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.814 HG12 HG13 ' A' ' 44' ' ' VAL . 64.4 mt -112.23 135.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.696 -0.684 . . . . 72.11 110.013 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -96.87 113.94 25.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 75.5 110.226 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.456 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 27.9 pt -119.77 136.92 55.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.462 -0.336 . . . . 63.44 110.296 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -93.72 109.33 21.0 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.481 -0.488 . . . . 72.0 110.62 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.929 HG12 ' HG2' ' A' ' 56' ' ' ARG . 62.5 t -131.85 137.8 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.468 -0.787 . . . . 63.01 108.992 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.929 ' HG2' HG12 ' A' ' 55' ' ' VAL . 10.0 mmt180 63.96 21.08 12.49 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.364 0.415 . . . . 65.52 110.689 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.27 17.15 72.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.985 -0.626 . . . . 44.45 112.477 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -137.04 137.95 39.92 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.866 -0.42 . . . . 75.3 109.866 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 1.2 pm0 -84.77 110.6 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.504 0.669 . . . . 75.24 110.419 176.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 31' ' ' MET . 55.8 mt -95.14 137.03 34.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.082 -0.963 . . . . 72.14 110.052 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.6 m -85.69 105.65 16.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.025 0.44 . . . . 64.21 110.46 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 4' ' ' LEU . 30.5 tp -106.49 125.59 51.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.0 -0.546 . . . . 64.01 109.528 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -72.44 156.27 39.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.281 -0.418 . . . . 62.22 111.239 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -60.41 -25.89 66.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.954 -0.566 . . . . 75.33 111.577 -177.496 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.483 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 13.0 m -59.55 -48.83 80.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 72.21 110.394 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.45 -38.45 55.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.903 -0.589 . . . . 72.45 110.818 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.23 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 35.14 111.691 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.451 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 5.0 mm-40 -85.41 3.57 39.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.457 -0.338 . . . . 70.11 111.239 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.5 tpp -113.96 -16.99 12.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.168 0.509 . . . . 74.42 111.045 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 3' ' ' SER . 70.5 mt -87.32 134.93 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 71.2 110.994 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.849 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 7.7 tp10 -98.09 115.38 28.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.981 -0.748 . . . . 73.23 108.981 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.501 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 20.5 m -122.71 178.55 3.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.048 0.451 . . . . 73.34 111.074 -177.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -136.79 130.71 32.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.619 -0.718 . . . . 74.34 109.928 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -70.74 107.77 4.12 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.052 -1.092 . . . . 75.31 108.052 173.624 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.23 109.36 0.59 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.458 0.647 . . . . 70.01 111.279 -172.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -72.1 117.3 13.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.927 -1.033 . . . . 72.44 112.055 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -125.62 124.8 41.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.584 -0.895 . . . . 70.24 108.584 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.3 t60 59.9 33.31 21.52 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.203 0.525 . . . . 75.34 109.679 -177.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.0 m80 69.96 -70.5 0.14 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.382 -0.826 . . . . 72.23 110.506 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.3 t60 179.96 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.514 -0.921 . . . . 74.41 108.514 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.126 -0.94 . . . . 61.53 109.602 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.811 -0.44 . . . . 63.31 109.811 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -85.08 102.94 13.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.27 0.557 . . . . 73.41 109.605 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -92.58 156.91 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.621 -0.718 . . . . 74.45 110.26 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.638 HD13 HG21 ' A' ' 13' ' ' VAL . 38.6 tp -61.97 -29.55 70.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.134 0.492 . . . . 72.24 110.317 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HD3' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -62.77 -29.28 70.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 73.05 110.494 175.723 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -91.33 -3.31 56.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.731 -0.668 . . . . 75.13 110.562 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 160.28 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 32.42 110.556 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HB2' ' NE2' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -114.18 154.15 28.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.335 -0.393 . . . . 74.24 110.39 -178.037 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 p -64.44 153.41 38.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.577 . . . . 72.24 111.34 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.53 -4.73 82.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.041 -0.599 . . . . 64.31 112.671 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.518 ' NE2' ' HB2' ' A' ' 8' ' ' LYS . 48.2 mt-30 -114.6 165.44 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.874 0.368 . . . . 65.32 110.922 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.886 -0.597 . . . . 70.01 110.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.638 HG21 HD13 ' A' ' 4' ' ' LEU . 35.0 m -124.49 158.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.799 0.333 . . . . 62.25 111.097 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -112.17 122.6 48.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.949 -0.569 . . . . 74.04 109.546 174.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.871 HG21 HG23 ' A' ' 33' ' ' ILE . 43.3 t -72.34 121.92 23.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.773 -0.194 . . . . 62.44 110.668 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG23 ' HG2' ' A' ' 71' ' ' GLU . 4.1 m -113.07 -40.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 112.262 0.467 . . . . 64.2 112.262 -178.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 30.4 mtmt -134.17 127.0 31.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.287 0.565 . . . . 71.45 112.004 -178.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.43 103.77 15.15 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.515 -0.766 . . . . 52.21 109.116 175.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -76.61 -5.28 47.09 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.716 0.293 . . . . 73.5 110.721 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -65.62 123.51 25.0 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.947 -0.644 . . . . 71.31 111.535 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 p -77.39 88.85 3.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.499 0.555 . . . . 73.23 112.499 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' CA ' ' HG2' ' A' ' 25' ' ' LYS . . . 67.85 -84.18 0.16 Allowed Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.489 -0.778 . . . . 41.31 114.037 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.251 0.548 . . . . 72.3 110.527 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.98 -46.84 67.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.431 -0.804 . . . . 71.24 110.758 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 20' ' ' GLY . 18.9 ptmt -67.73 -33.0 74.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.49 -0.323 . . . . 62.45 110.853 -174.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.497 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 79.9 ttt180 -67.94 -45.19 74.98 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.555 -0.458 . . . . 74.34 110.633 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.42 -44.32 84.53 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 74.2 110.363 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.663 HG22 ' HB ' ' A' ' 33' ' ' ILE . 85.0 mt -61.69 -49.61 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.574 -0.739 . . . . 72.44 111.193 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.654 ' HB2' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -74.72 -30.0 61.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 73.25 111.66 -176.185 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.74 -33.61 73.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.036 0.446 . . . . 72.44 110.822 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.444 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 70.2 mtm -74.32 -22.75 59.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 74.14 111.194 176.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.86 -10.2 3.66 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.425 -0.893 . . . . 60.11 113.122 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.871 HG23 HG21 ' A' ' 15' ' ' VAL . 53.8 mt -86.51 77.58 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.274 0.559 . . . . 74.12 110.205 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 29' ' ' MET . 17.6 p -102.66 22.89 12.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.523 0.935 . . . . 74.24 113.523 -169.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 34' ' ' THR . 52.6 ttp180 68.32 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.227 0.537 . . . . 74.05 110.351 -176.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.1 -12.63 68.55 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.818 -0.913 . . . . 55.31 110.818 -172.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -79.18 147.48 32.63 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.454 -0.573 . . . . 74.34 109.454 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.05 140.41 36.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.002 0.43 . . . . 74.03 110.112 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.684 HG12 HG22 ' A' ' 55' ' ' VAL . 51.2 mt -127.43 122.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.53 . . . . 62.23 110.627 -176.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.514 ' HD1' ' HD2' ' A' ' 42' ' ' ARG . 51.8 t80 -94.45 115.96 28.23 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.995 -0.742 . . . . 72.02 108.995 173.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.601 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.1 mp -74.77 115.85 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.687 -0.486 . . . . 74.2 109.687 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.732 ' HD3' ' HB2' ' A' ' 54' ' ' ASN . 29.4 mmm180 -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 74.1 111.102 -173.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 1.9 tmtp? -156.01 133.05 10.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.17 -174.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.458 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 43.8 t -102.84 110.87 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.54 -0.541 . . . . 73.15 109.54 175.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -57.08 145.9 63.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 61.41 111.311 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 50.7 Cg_exo -54.12 -38.25 87.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.209 2.606 . . . . 75.44 113.123 -177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' HD13 ' A' ' 47' ' ' LEU . 3.1 tm? -74.58 -27.34 60.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.163 0.506 . . . . 71.01 110.037 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.81 -7.31 41.7 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.765 -0.731 . . . . 75.41 111.499 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 13.9 t70 -139.99 125.97 11.88 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.966 -0.383 . . . . 72.31 109.966 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.536 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 83.5 Cg_endo -95.87 177.48 9.59 Favored 'Cis proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.713 -1.37 . . . . 54.35 112.338 -4.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 51' ' ' ILE . 4.2 mp -99.59 127.1 52.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 74.12 109.516 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.24 120.88 28.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.609 -0.515 . . . . 65.04 109.609 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 62' ' ' LEU . 41.2 pt -132.34 153.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.564 -0.289 . . . . 73.21 110.819 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.732 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 46.5 t-20 -107.0 111.18 23.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.651 -0.5 . . . . 74.43 109.651 176.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.684 HG22 HG12 ' A' ' 39' ' ' ILE . 94.5 t -127.24 124.84 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 63.44 109.782 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.648 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmm180 65.89 18.59 11.14 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.447 0.467 . . . . 74.35 111.278 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.81 -6.02 76.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.991 -0.623 . . . . 54.22 111.928 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.48 130.78 44.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.675 0.274 . . . . 73.33 110.566 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -75.22 110.71 9.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.742 -0.836 . . . . 64.44 108.742 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -114.87 161.22 18.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.044 0.45 . . . . 73.42 110.874 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -127.52 114.33 17.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.786 -0.643 . . . . 70.52 110.307 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 53' ' ' ILE . 3.6 mm? -106.18 137.15 44.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.31 -0.405 . . . . 63.4 110.309 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 63' ' ' ARG . 2.2 mpt_? -68.66 155.98 39.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.312 -0.403 . . . . 74.12 111.001 -178.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' HG3' ' HD3' ' A' ' 5' ' ' ARG . 80.5 tttt -56.88 -46.71 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.449 -0.796 . . . . 75.44 110.959 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 m -63.65 -33.57 75.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.661 -0.699 . . . . 51.22 111.328 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.95 -43.29 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 70.13 111.012 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.75 -23.39 65.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.252 -0.431 . . . . 70.23 111.813 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -84.58 -6.6 59.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 72.43 110.714 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 91.4 mtp -102.84 0.6 32.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 71.45 110.185 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.508 HG22 HG13 ' A' ' 72' ' ' VAL . 68.9 mt -99.69 114.21 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.747 -0.661 . . . . 74.44 110.214 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.6 tt0 -91.78 120.53 32.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.687 -0.688 . . . . 74.23 109.581 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.643 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -131.38 160.8 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.252 0.548 . . . . 71.42 111.868 -174.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.24 132.73 46.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.116 -0.947 . . . . 71.41 109.323 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 76' ' ' HIS . 0.4 OUTLIER -76.7 104.99 7.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.217 -1.031 . . . . 75.13 108.217 174.746 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -76.89 51.8 0.81 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.244 0.545 . . . . 71.35 111.316 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.569 ' HB2' HD12 ' A' ' 74' ' ' LEU . 78.8 t60 -81.78 121.45 26.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.067 -0.716 . . . . 72.23 109.067 175.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -67.86 115.86 7.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.027 0.441 . . . . 72.3 110.078 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -135.62 86.65 2.25 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.756 -0.656 . . . . 52.22 109.634 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -96.85 121.22 38.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.695 -0.684 . . . . 73.15 110.178 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -144.33 -58.81 0.38 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.184 -0.462 . . . . 73.43 109.819 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.7 t60 . . . . . 0 C--O 1.246 0.918 0 N-CA-C 109.166 -0.679 . . . . 73.15 109.166 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.275 -0.268 . . . . 65.11 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -110.66 111.26 22.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.634 -0.506 . . . . 61.21 109.634 -177.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 5.6 m -85.78 154.71 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.307 -0.406 . . . . 61.42 111.026 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.637 HD13 HG11 ' A' ' 72' ' ' VAL . 56.7 tp -61.34 -29.8 70.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 73.12 111.482 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -68.88 -6.39 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.602 0.593 . . . . 73.41 112.602 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -90.15 -11.78 40.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.124 0.488 . . . . 73.25 110.797 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 157.54 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.005 -0.543 . . . . 64.23 110.113 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -115.79 176.34 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.896 0.379 . . . . 62.22 111.101 -176.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.6 p -66.28 140.17 58.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 73.44 112.214 -175.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 9.33 84.55 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.526 -0.761 . . . . 61.42 112.823 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 52.4 mt-30 -109.56 146.15 35.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.612 0.244 . . . . 72.13 110.369 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -102.45 121.67 42.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.222 -0.445 . . . . 73.4 110.607 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 HD13 ' A' ' 74' ' ' LEU . 35.7 m -119.35 151.27 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.375 -0.375 . . . . 73.22 110.523 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.992 0.425 . . . . 73.41 110.849 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG21 HG23 ' A' ' 33' ' ' ILE . 60.4 t -81.03 114.68 22.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.283 -0.871 . . . . 44.02 109.614 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -107.39 -39.9 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.674 -0.41 . . . . 73.5 112.062 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 2.8 tppp? -137.01 133.23 35.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 53.51 110.79 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.554 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 87.8 mt -108.45 118.6 37.19 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.254 -0.43 . . . . 71.52 109.849 176.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.822 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 62.7 m-70 -99.73 175.77 5.69 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 71.2 108.932 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.584 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 119.43 157.19 10.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 74.33 111.813 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -85.34 79.56 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.009 0.404 . . . . 65.3 111.736 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.44 -75.7 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 CA-C-N 115.65 -0.705 . . . . 44.15 114.85 171.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.42 84.92 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.654 0.382 . . . . 70.23 111.512 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 28' ' ' ILE . 55.2 tp -58.07 -45.82 86.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.168 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.584 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -57.81 -45.61 85.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 75.42 111.312 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -62.0 -43.65 98.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.014 0.435 . . . . 73.14 110.249 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.64 -40.23 96.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 74.43 110.614 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.571 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 92.6 mt -66.73 -49.58 73.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 74.45 110.841 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 73.7 mtm -66.39 -33.52 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 71.44 111.274 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.5 -36.65 78.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 74.42 111.474 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.571 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.7 mtm -72.82 -24.46 60.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.978 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.53 -20.26 4.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.78 . . . . 60.41 112.286 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.678 HG23 HG21 ' A' ' 15' ' ' VAL . 55.8 mt -67.25 110.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 71.23 110.449 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -134.82 165.29 25.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 72.0 111.308 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -67.97 114.15 6.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.463 . . . . 64.22 110.776 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.07 -1.73 44.23 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.758 -0.655 . . . . 71.1 113.015 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.4 p -86.15 140.43 30.2 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.38 0.59 . . . . 63.12 109.755 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -101.43 124.51 47.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.358 0.599 . . . . 71.24 110.122 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 55' ' ' VAL . 58.4 mt -121.48 124.66 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.21 -0.904 . . . . 71.44 109.624 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 23.9 p90 -96.69 131.0 43.82 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.752 -0.833 . . . . 73.42 108.752 171.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.3 mt -79.99 126.33 39.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.231 -0.441 . . . . 73.41 109.952 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -76.01 -51.47 12.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 65.51 109.747 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 70.3 mttt -154.45 135.96 14.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 44.51 111.457 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 51' ' ' ILE . 50.5 t -111.75 117.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.114 -0.699 . . . . 51.35 109.114 172.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.69 143.61 92.74 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.098 -0.334 . . . . 64.23 110.098 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.9 Cg_exo -63.51 -11.52 26.42 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.169 2.579 . . . . 60.35 112.409 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -81.42 -10.41 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.665 -0.698 . . . . 65.45 110.22 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 -12.74 68.7 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.342 -0.703 . . . . 54.22 111.342 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.79 150.19 15.35 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.435 -0.58 . . . . 70.51 109.435 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -83.88 157.56 70.85 Favored 'Cis proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 -1.653 . . . . 71.12 112.216 -4.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.438 HG23 HG22 ' A' ' 44' ' ' VAL . 64.5 mt -102.48 118.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.844 -0.616 . . . . 52.53 109.53 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -91.0 113.82 26.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.836 -0.62 . . . . 73.12 109.848 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.43 HG13 ' HB2' ' A' ' 60' ' ' LEU . 35.3 pt -120.59 161.87 19.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.545 0.212 . . . . 71.12 110.669 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -126.6 114.88 18.66 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.924 0.392 . . . . 54.1 110.314 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 39' ' ' ILE . 18.7 t -126.04 140.93 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 72.24 109.341 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HG2' HG12 ' A' ' 55' ' ' VAL . 31.2 mmt180 66.77 -73.81 0.07 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.912 0.757 . . . . 63.22 110.006 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.96 23.0 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.112 -1.195 . . . . 40.01 110.112 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -127.34 142.91 51.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 73.0 109.598 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -89.23 110.83 21.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 75.44 110.095 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HB2' HG13 ' A' ' 53' ' ' ILE . 87.2 mt -99.47 129.77 45.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.11 -0.495 . . . . 73.5 110.792 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -93.26 106.47 18.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 74.04 109.803 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 66' ' ' ALA . 30.7 tp -108.77 149.84 28.47 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.518 -0.549 . . . . 73.32 109.518 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.74 167.89 9.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.481 -0.488 . . . . 75.01 110.958 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -58.25 -29.57 65.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.415 -0.812 . . . . 72.23 111.755 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -53.59 -52.81 58.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 42.14 111.199 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -76.33 -38.79 55.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 61.12 111.204 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.62 66.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.517 -0.311 . . . . 74.52 111.772 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -82.97 -10.84 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.305 -0.407 . . . . 75.34 111.539 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.822 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 1.1 tpt -118.35 -2.0 11.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.947 0.403 . . . . 65.03 111.213 -174.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 66' ' ' ALA . 73.4 mt -92.84 128.43 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.385 -0.37 . . . . 73.11 110.41 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.2 tp10 -93.48 116.45 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.72 -0.673 . . . . 34.13 109.681 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.637 HG11 HD13 ' A' ' 4' ' ' LEU . 30.8 m -131.13 165.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.949 0.404 . . . . 71.33 112.041 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -133.55 150.73 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.601 -0.727 . . . . 74.25 109.463 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 HG12 ' A' ' 13' ' ' VAL . 4.5 mm? -84.62 133.06 34.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 71.15 111.317 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -79.21 154.29 29.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.756 -0.461 . . . . 71.13 109.756 172.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 66.71 23.85 10.11 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.458 0.647 . . . . 75.14 110.656 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 48.3 p-80 -79.09 148.11 32.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.852 -0.796 . . . . 74.41 108.852 173.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 49.9 t-80 74.65 143.55 0.07 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.088 0.867 . . . . 72.44 110.254 -176.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -68.79 88.35 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 71.1 111.402 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 141.89 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.553 1.141 . . . . 73.41 112.76 176.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.673 -0.679 . . . . 74.53 109.808 179.21 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HG3' ' OE2' ' A' ' 71' ' ' GLU . 26.8 ttt . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.066 0.46 . . . . 64.04 110.333 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -130.25 106.18 8.41 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.822 -0.807 . . . . 72.25 108.822 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 99.2 p -84.63 166.21 17.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.394 -0.367 . . . . 63.12 110.315 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 39' ' ' ILE . 17.2 tp -69.44 -16.27 63.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.414 0.626 . . . . 63.13 109.513 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -39.33 68.79 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.265 -0.879 . . . . 71.23 108.988 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.64 -22.1 64.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.821 -0.627 . . . . 74.43 111.146 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 155.73 36.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 70.23 110.86 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -111.32 160.36 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.2 -0.454 . . . . 61.55 110.054 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 p -73.91 140.8 45.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.934 0.397 . . . . 62.45 110.496 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.38 1.96 71.18 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.396 -0.682 . . . . 41.42 111.396 -177.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -104.56 152.02 22.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.369 . . . . 65.43 110.53 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 75' ' ' GLU . 36.3 m -111.44 129.77 55.92 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.984 -0.746 . . . . 44.43 108.984 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.01 172.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.596 0.236 . . . . 63.02 110.565 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.587 ' HD3' ' HG2' ' A' ' 75' ' ' GLU . 14.0 mtpt -130.3 131.69 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.346 -0.388 . . . . 55.44 110.702 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' HA ' HG12 ' A' ' 72' ' ' VAL . 61.8 t -74.6 115.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.087 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -107.84 -38.86 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.275 -0.42 . . . . 72.21 111.602 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.654 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 56.6 mtpt -133.31 156.68 47.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.068 0.461 . . . . 72.54 110.308 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.18 116.26 19.65 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.987 -0.551 . . . . 70.41 109.835 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -86.83 154.48 20.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.176 -0.465 . . . . 55.23 109.747 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 175.81 14.2 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.784 -0.722 . . . . 73.13 111.741 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.5 p -79.12 -63.57 1.39 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.699 0.285 . . . . 74.21 111.503 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.81 -57.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.597 -0.811 . . . . 24.01 112.683 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.647 0.26 . . . . 52.05 111.11 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.44 -41.22 76.09 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.038 -0.528 . . . . 72.24 110.443 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -66.26 -49.26 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.176 -0.466 . . . . 62.32 111.168 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -63.08 -32.43 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.839 -0.43 . . . . 65.34 109.839 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.36 -42.15 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 75.44 110.464 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.732 HG22 ' HB ' ' A' ' 33' ' ' ILE . 60.6 mt -70.77 -41.55 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 74.01 110.548 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.501 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 87.6 mtp -63.42 -31.54 72.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 63.34 111.11 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.35 -32.6 68.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.818 -0.628 . . . . 75.32 111.324 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.567 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 62.8 mtm -84.52 -0.06 51.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.756 -0.656 . . . . 72.3 111.067 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.3 -3.31 50.85 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.945 -0.645 . . . . 42.31 112.563 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.732 ' HB ' HG22 ' A' ' 28' ' ' ILE . 40.3 mt -88.3 106.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 53.24 110.477 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -147.45 178.83 8.12 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 74.13 109.622 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.2 130.16 44.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 73.55 110.451 -177.614 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.63 -4.98 69.7 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.972 -0.632 . . . . 70.13 112.498 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.09 140.13 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 74.23 110.335 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -92.55 126.4 37.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.474 -0.784 . . . . 74.44 109.558 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.521 HG21 HD21 ' A' ' 4' ' ' LEU . 35.8 mm -112.02 117.42 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.99 -0.55 . . . . 44.44 110.267 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -95.23 105.82 17.79 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.937 -0.574 . . . . 65.5 109.896 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.1 mp -75.84 107.77 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.836 -0.801 . . . . 74.02 108.836 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -86.38 -40.87 14.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.37 -0.377 . . . . 73.44 110.642 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 4.6 tmtt? -156.84 137.83 13.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.772 0.32 . . . . 73.33 110.64 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 46.3 t -114.11 130.28 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.047 -0.723 . . . . 73.41 109.047 173.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.3 143.26 98.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.735 -0.386 . . . . 71.33 110.341 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.26 -29.63 88.34 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.974 2.449 . . . . 74.24 112.456 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.8 tp -85.86 -4.81 59.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.848 -0.615 . . . . 70.44 110.661 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.73 -24.68 31.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.989 -0.624 . . . . 65.14 112.509 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.554 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 8.5 t70 -134.59 133.71 21.64 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.959 -0.385 . . . . 75.14 109.959 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 93.6 Cg_endo -94.4 -172.79 4.16 Favored 'Cis proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.699 -1.376 . . . . 72.41 112.784 -2.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.401 HG22 HG23 ' A' ' 53' ' ' ILE . 4.7 mp -116.08 128.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.001 -0.545 . . . . 63.31 110.007 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -94.45 110.2 22.01 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.172 0.511 . . . . 75.5 110.703 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 51' ' ' ILE . 27.1 pt -120.97 144.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.732 -0.667 . . . . 73.22 110.215 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -104.36 113.04 26.33 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.959 -0.386 . . . . 73.33 109.959 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.604 HG12 ' HG3' ' A' ' 56' ' ' ARG . 60.6 t -124.09 119.16 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 73.15 110.368 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG3' HG12 ' A' ' 55' ' ' VAL . 71.1 mtt180 62.0 27.33 16.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.476 0.485 . . . . 53.35 111.065 176.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.38 -16.72 59.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.08 -0.581 . . . . 61.05 112.32 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 129.98 37.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.665 0.269 . . . . 75.44 110.297 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -96.31 117.31 30.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.332 0.587 . . . . 62.31 109.708 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 mt -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.045 -0.98 . . . . 75.02 111.108 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m -112.72 108.69 17.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.514 -0.55 . . . . 54.44 109.514 173.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD11 ' HE3' ' A' ' 31' ' ' MET . 12.4 mt -105.36 153.23 21.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 72.33 111.564 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 146.95 54.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.198 -0.91 . . . . 73.41 110.345 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -54.56 -42.12 70.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.619 . . . . 72.43 110.181 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.594 ' HA ' ' OE2' ' A' ' 68' ' ' GLU . 35.9 m -61.56 -32.9 73.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 64.03 111.856 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.48 -35.57 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 71.04 110.738 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -22.07 63.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.21 111.027 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.594 ' OE2' ' HA ' ' A' ' 65' ' ' SER . 44.0 mt-10 -67.46 -31.52 71.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.18 0.514 . . . . 73.5 110.903 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.8 mmt -82.6 -20.39 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 73.42 111.246 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.569 HG22 HG13 ' A' ' 72' ' ' VAL . 53.5 mt -82.09 109.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.807 0.337 . . . . 73.43 110.608 -178.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 8.0 tp10 -89.13 112.94 24.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.347 -0.612 . . . . 71.42 109.347 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG13 HG22 ' A' ' 70' ' ' ILE . 25.9 m -122.42 163.0 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.215 0.531 . . . . 73.43 111.465 -175.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.41 144.84 38.58 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.901 -0.778 . . . . 74.34 108.901 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.86 110.95 8.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.009 -1.108 . . . . 72.11 108.009 174.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.587 ' HG2' ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -59.71 157.35 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.283 0.563 . . . . 73.31 111.377 -173.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -61.46 109.68 1.24 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.374 -0.83 . . . . 65.01 109.764 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -82.58 17.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 54.43 111.262 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 71.57 153.27 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.475 -0.784 . . . . 74.04 111.431 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 62.0 70.24 0.59 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.387 -0.824 . . . . 71.42 110.48 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -94.75 -18.31 21.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.679 -0.86 . . . . 74.24 108.679 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.0 t60 . . . . . 0 C--O 1.242 0.692 0 CA-C-N 114.862 -1.063 . . . . 65.03 109.476 177.078 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 66.7 ttp . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.845 0.355 . . . . 71.01 110.751 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 72' ' ' VAL . 35.8 t80 -85.51 107.13 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.31 -0.996 . . . . 74.23 108.31 173.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.501 ' HB3' ' HB2' ' A' ' 6' ' ' ASP . 43.9 t -77.88 150.67 34.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.9 -0.591 . . . . 74.11 111.169 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 72' ' ' VAL . 41.4 tp -66.87 -26.89 67.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.276 0.56 . . . . 72.14 109.719 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 2.5 tmm_? -83.26 -12.26 56.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.624 -0.716 . . . . 61.51 109.735 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 24.2 t70 -92.17 -20.17 21.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.772 . . . . 62.42 110.128 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.14 148.83 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.83 -0.623 . . . . 63.51 110.64 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -94.25 142.19 27.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.48 -0.327 . . . . 73.12 110.473 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.63 127.41 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 65.45 110.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.96 -10.98 29.53 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.953 -0.641 . . . . 41.34 111.74 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -106.3 157.45 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 63.12 110.895 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.8 m -109.88 129.16 55.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.908 -0.587 . . . . 64.52 110.323 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.595 HG12 HD22 ' A' ' 74' ' ' LEU . 34.7 m -120.66 179.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 73.12 110.173 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -131.46 136.12 47.68 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.132 -0.322 . . . . 62.34 110.132 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.652 ' HA ' HG12 ' A' ' 72' ' ' VAL . 93.8 t -73.77 117.51 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.408 -0.589 . . . . 63.43 109.408 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG23 ' HG2' ' A' ' 71' ' ' GLU . 14.0 m -111.04 -36.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.628 -0.429 . . . . 63.4 111.882 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.664 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 15.4 tppt? -140.73 134.89 30.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.018 0.437 . . . . 73.42 111.018 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.578 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 82.1 mt -105.84 107.37 18.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.262 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 69' ' ' MET . 35.1 m-70 -88.28 158.96 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.02 -0.363 . . . . 73.12 110.02 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.79 -167.25 24.06 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.505 -0.855 . . . . 70.12 112.707 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 p -85.72 1.87 47.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.102 0.477 . . . . 75.33 111.835 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.791 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 96.59 -47.32 1.73 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.658 -0.782 . . . . 74.31 111.84 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.29 93.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.094 0.473 . . . . 60.12 110.519 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.69 -41.97 98.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 74.21 110.122 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.791 ' HD3' ' HA2' ' A' ' 22' ' ' GLY . 52.7 mtpt -62.7 -46.73 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.633 -0.712 . . . . 72.34 110.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -58.01 -39.67 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.758 -0.656 . . . . 72.54 110.772 178.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -67.57 -43.09 81.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.36 -0.382 . . . . 72.44 110.768 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.561 HG22 ' HB ' ' A' ' 33' ' ' ILE . 73.7 mt -69.24 -38.78 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.678 0.275 . . . . 62.12 111.142 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.15 -29.26 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 75.24 110.551 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.74 -30.32 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.667 -0.697 . . . . 71.43 111.368 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.613 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.8 mpp? -81.17 -6.45 58.86 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.748 0.309 . . . . 70.31 111.452 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.77 2.13 46.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.539 -0.839 . . . . 74.32 112.195 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.561 ' HB ' HG22 ' A' ' 28' ' ' ILE . 46.4 mt -87.43 99.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.756 -0.461 . . . . 70.34 109.756 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -120.67 156.03 32.59 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.084 -0.507 . . . . 74.53 111.047 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HG2' ' H ' ' A' ' 35' ' ' ARG . 10.9 ptt85 -58.41 114.29 2.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 72.0 110.291 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.45 -31.71 4.12 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.383 -0.826 . . . . 75.41 112.396 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.62 149.29 42.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.805 0.336 . . . . 25.54 110.562 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -90.98 139.88 30.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.13 0.491 . . . . 73.24 110.293 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 4' ' ' LEU . 31.1 mm -114.82 114.41 46.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.506 -0.77 . . . . 71.45 109.894 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -83.2 113.55 20.74 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.398 -0.593 . . . . 74.12 109.398 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -75.24 99.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.208 -0.664 . . . . 72.51 109.208 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -46.44 21.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.627 -0.715 . . . . 62.42 110.917 -171.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -160.8 122.81 3.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.942 0.401 . . . . 74.31 111.673 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.9 t -104.74 112.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.614 -0.884 . . . . 63.42 108.614 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.27 143.7 84.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.477 -0.329 . . . . 71.13 111.07 -176.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.12 -10.26 27.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.805 2.337 . . . . 72.11 112.117 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.99 -18.62 36.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 54.54 109.756 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -11.72 57.11 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.632 -0.713 . . . . 51.22 112.11 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -155.64 137.62 9.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.234 -0.284 . . . . 72.03 110.234 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -91.73 -174.76 6.96 Favored 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.364 -1.515 . . . . 73.44 112.752 0.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG22 HG23 ' A' ' 53' ' ' ILE . 3.6 mp -110.86 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.106 -0.701 . . . . 74.13 109.106 175.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -90.22 113.88 25.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.316 -0.624 . . . . 65.32 109.316 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.538 HG23 HG22 ' A' ' 51' ' ' ILE . 26.9 pt -120.81 158.35 23.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.459 -0.337 . . . . 72.1 110.701 -177.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.78 110.68 20.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.905 -0.405 . . . . 64.11 109.905 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.854 HG12 ' HG2' ' A' ' 56' ' ' ARG . 49.0 t -122.98 131.43 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.856 -0.611 . . . . 62.32 109.887 -178.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.854 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.9 mmt180 63.29 16.18 9.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.343 -0.39 . . . . 74.35 110.679 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.82 -16.19 61.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.015 -0.612 . . . . 74.12 112.17 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -101.71 135.35 43.39 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.099 -0.334 . . . . 71.42 110.099 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -84.08 124.28 30.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.362 0.601 . . . . 73.42 110.765 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 31' ' ' MET . 67.4 mt -114.67 138.82 50.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.404 -0.816 . . . . 63.02 110.197 -176.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.1 m -94.55 106.23 18.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 74.54 109.962 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 tp -107.52 140.92 39.76 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.642 -0.503 . . . . 63.54 109.642 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -79.47 153.74 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 72.24 111.799 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 30.8 ttpt -45.5 -53.18 9.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.587 -1.188 . . . . 72.12 112.369 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 p -63.76 -41.31 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.844 0.312 . . . . 71.21 111.844 -176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.508 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -68.45 -43.58 76.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 70.01 110.822 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.25 84.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.267 0.556 . . . . 70.22 110.901 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.497 ' HA ' ' OG ' ' A' ' 3' ' ' SER . 28.8 tt0 -68.93 -26.09 64.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.544 -0.753 . . . . 74.2 111.182 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 10.0 tpt -83.25 -8.03 59.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.095 -0.502 . . . . 72.32 110.786 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.526 HD11 ' CD1' ' A' ' 28' ' ' ILE . 36.8 mm -91.55 129.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.076 0.465 . . . . 74.24 111.399 -176.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.664 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.4 tt0 -93.68 116.56 29.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.294 -0.866 . . . . 73.53 109.664 177.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 4' ' ' LEU . 28.0 m -124.57 171.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.254 -0.43 . . . . 72.13 110.662 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -123.52 131.13 53.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.077 -0.51 . . . . 74.45 109.707 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.595 HD22 HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -73.86 113.42 10.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.92 -0.77 . . . . 72.22 108.92 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.74 110.05 2.25 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.145 0.497 . . . . 71.33 110.411 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -78.0 91.47 4.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.582 -0.735 . . . . 71.23 109.149 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -87.99 45.4 1.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.617 0.722 . . . . 73.34 111.058 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -156.03 145.42 20.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.081 -1.081 . . . . 65.21 108.081 173.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -126.62 140.81 52.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.064 0.459 . . . . 72.21 111.584 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -91.08 -20.01 22.52 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.746 -0.835 . . . . 74.03 108.746 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.245 0.852 0 CA-C-N 114.881 -1.054 . . . . 61.22 108.822 175.243 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ttt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.729 0.299 . . . . 55.3 110.381 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -131.67 102.06 5.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.326 -0.62 . . . . 75.33 109.326 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 84.0 p -98.22 178.57 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.353 -0.385 . . . . 62.32 110.941 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.1 mt -70.84 -8.17 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.364 0.602 . . . . 61.34 110.211 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.734 ' HG3' ' HG2' ' A' ' 68' ' ' GLU . 24.2 mmm180 -85.33 -31.73 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.426 -0.807 . . . . 71.55 110.368 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -82.62 -28.81 30.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.893 -1.048 . . . . 71.21 109.946 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.71 155.24 40.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.488 -0.778 . . . . 73.13 111.238 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -107.26 153.77 22.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 73.4 109.739 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.636 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 9.9 p -58.79 140.83 54.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.678 0.275 . . . . 54.1 110.559 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.42 -22.66 35.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 62.13 112.593 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 53.6 mt-30 -69.89 133.06 46.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.937 0.399 . . . . 62.43 111.131 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -95.53 103.92 15.81 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.602 -0.726 . . . . 75.3 109.539 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 74' ' ' LEU . 22.6 m -113.64 174.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.423 -0.584 . . . . 63.31 109.423 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.661 0.267 . . . . 53.24 110.465 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.35 124.43 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.72 -0.673 . . . . 72.32 110.342 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -117.26 -40.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.22 0.452 . . . . 73.24 112.22 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 50.1 tttm -139.04 149.69 44.92 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.477 -0.489 . . . . 62.5 110.548 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.87 112.87 19.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.957 -0.565 . . . . 62.25 110.006 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -72.59 -9.15 58.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 72.15 111.763 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.72 149.93 48.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.766 -0.73 . . . . 72.32 111.612 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 p -57.44 -79.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.38 . . . . 73.52 111.88 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.91 -57.64 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.205 -0.758 . . . . 64.34 111.205 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.3 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.932 0.396 . . . . 71.21 110.441 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.48 -46.81 83.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.687 -0.688 . . . . 73.32 110.711 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -59.92 -53.61 55.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.094 -0.503 . . . . 71.41 110.764 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -58.48 -40.66 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.525 -0.761 . . . . 64.55 111.495 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 27' ' ' ARG . 17.2 tpt180 -60.52 -47.49 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.632 0.253 . . . . 72.22 111.023 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.789 HD13 HD11 ' A' ' 70' ' ' ILE . 68.5 mt -61.28 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 72.32 111.005 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 68.2 mtm -67.06 -30.81 70.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.997 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.91 -35.81 81.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.735 -0.666 . . . . 50.44 110.704 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 28' ' ' ILE . 67.0 mtm -76.92 -17.47 58.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.848 -0.615 . . . . 73.44 111.001 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.04 -8.76 6.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.6 -0.809 . . . . 53.31 113.356 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.692 HG12 HG21 ' A' ' 55' ' ' VAL . 51.1 mt -97.89 103.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.004 0.402 . . . . 63.43 111.173 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.407 ' HA ' ' HG2' ' A' ' 29' ' ' MET . 12.5 t -128.66 173.05 10.64 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.937 -0.394 . . . . 51.12 109.937 177.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.92 142.29 54.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.28 -0.418 . . . . 74.24 110.379 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.95 -21.45 46.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.933 -0.651 . . . . 74.13 111.923 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.2 m -78.72 148.89 32.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 73.32 110.865 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.27 135.69 33.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.569 -0.741 . . . . 73.42 110.33 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 13' ' ' VAL . 19.8 mm -128.02 116.45 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 73.42 109.656 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 54' ' ' ASN . 4.4 p90 -112.72 130.66 55.98 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.256 -0.978 . . . . 72.42 109.237 171.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.851 ' HA ' HG22 ' A' ' 53' ' ' ILE . 4.4 mp -72.63 111.86 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.675 -0.693 . . . . 75.41 109.893 -175.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -56.84 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.64 -0.709 . . . . 74.52 111.128 -171.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 57.0 tttm -143.44 122.16 12.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.349 . . . . 74.12 110.992 -175.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -108.4 125.95 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.442 -0.345 . . . . 61.13 110.099 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.0 145.73 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.058 -0.349 . . . . 61.43 110.058 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -42.91 -46.49 8.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.915 3.077 . . . . 75.0 113.527 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.64 -35.07 72.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.668 . . . . 74.41 110.526 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.58 -3.12 20.0 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.529 -0.628 . . . . 61.5 111.529 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 27.6 t70 -138.92 124.22 11.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.811 -0.44 . . . . 71.05 109.811 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 42.3 Cg_endo -89.36 -176.36 10.02 Favored 'Cis proline' 0 C--O 1.236 0.389 0 C-N-CA 123.411 -1.496 . . . . 73.31 112.754 -0.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.575 HD11 HH11 ' A' ' 5' ' ' ARG . 73.2 mt -119.02 121.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.943 -0.571 . . . . 62.2 109.799 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 35.2 tt0 -95.43 116.41 28.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.216 0.532 . . . . 74.21 109.937 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.851 HG22 ' HA ' ' A' ' 41' ' ' ILE . 1.4 pp -123.0 148.52 26.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.786 -0.643 . . . . 74.51 110.653 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 24.3 t-20 -97.83 112.92 24.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.862 0.363 . . . . 73.35 110.257 -178.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.724 HG12 ' HG2' ' A' ' 56' ' ' ARG . 23.2 t -119.51 124.51 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 64.4 109.962 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.724 ' HG2' HG12 ' A' ' 55' ' ' VAL . 20.0 mmm180 67.15 12.05 8.73 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 53.44 110.997 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.63 -15.17 58.76 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.138 -0.553 . . . . 64.55 111.834 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -100.94 132.53 46.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.132 -0.322 . . . . 73.35 110.132 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 1.3 pm0 -82.42 124.77 30.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.09 0.472 . . . . 70.31 111.129 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.25 153.58 32.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 62.11 110.153 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.1 t -118.95 107.81 14.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 62' ' ' LEU . 16.6 mt -106.79 142.97 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.446 -0.343 . . . . 75.1 110.336 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -73.75 158.82 33.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.481 -0.562 . . . . 50.43 109.481 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 14.5 ptmm? -53.44 -37.73 62.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.425 . . . . 71.45 111.597 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -56.21 -40.92 74.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.392 . . . . 74.41 111.346 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.73 -34.14 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 61.11 110.953 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.88 -29.88 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.898 0.38 . . . . 63.52 110.988 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.734 ' HG2' ' HG3' ' A' ' 5' ' ' ARG . 48.7 mt-10 -70.29 -13.27 62.09 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.046 -0.525 . . . . 61.54 111.924 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptp -107.57 6.33 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.486 -0.486 . . . . 75.3 111.565 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.789 HD11 HD13 ' A' ' 28' ' ' ILE . 49.0 mm -97.78 118.15 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.997 -0.281 . . . . 61.42 110.568 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 7.8 tp10 -92.88 120.1 32.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.733 -0.84 . . . . 75.14 108.733 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 70' ' ' ILE . 21.3 m -126.58 162.51 30.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.273 0.559 . . . . 70.54 111.725 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -126.02 151.39 47.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 54.13 109.921 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.432 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? -87.11 123.32 32.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.131 -0.692 . . . . 75.53 109.131 171.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.01 -25.49 67.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.568 0.699 . . . . 63.51 109.367 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -119.52 89.47 3.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.589 -0.893 . . . . 73.33 108.589 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -62.87 138.83 58.65 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.882 0.372 . . . . 73.24 110.536 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -70.82 104.61 2.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.418 -0.81 . . . . 72.22 111.327 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -77.05 91.86 3.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.371 -0.831 . . . . 72.21 109.786 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -83.13 85.85 7.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.885 0.374 . . . . 75.3 110.059 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 t60 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.568 -0.73 . . . . 73.13 109.222 178.623 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.715 0.293 . . . . 63.44 110.652 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.416 ' CD2' HG23 ' A' ' 72' ' ' VAL . 69.0 t80 -85.28 111.89 20.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.961 -0.755 . . . . 71.21 108.961 173.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.745 ' OG ' ' HA ' ' A' ' 68' ' ' GLU . 28.0 t -88.35 149.82 23.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 65.31 112.046 -173.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD13 HG11 ' A' ' 72' ' ' VAL . 36.9 tp -63.42 -20.78 65.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.133 -0.94 . . . . 74.52 110.496 176.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.041 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 23.8 ptt180 -78.22 -15.86 58.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 63.12 111.159 -175.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -87.53 -16.38 34.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.944 0.402 . . . . 74.43 110.868 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.558 ' CB ' HG13 ' A' ' 41' ' ' ILE . . . -63.41 154.27 32.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.019 -0.537 . . . . 71.32 110.743 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -116.47 169.42 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.404 -0.362 . . . . 75.24 111.179 -175.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 p -65.82 110.44 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.224 0.535 . . . . 74.11 111.08 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.11 -11.8 22.23 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.872 -0.603 . . . . 72.4 111.83 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.59 145.85 27.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.247 0.546 . . . . 62.53 111.32 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 75' ' ' GLU . 14.4 m -109.25 134.07 52.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.32 -0.855 . . . . 65.52 109.127 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 74' ' ' LEU . 14.0 m -134.46 149.82 30.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.421 -0.215 . . . . 64.51 110.421 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -112.18 125.85 54.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.68 -0.237 . . . . 74.51 110.399 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.723 ' HA ' HG12 ' A' ' 72' ' ' VAL . 58.1 t -71.35 129.39 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.802 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.556 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 3.4 m -116.8 -46.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.288 -0.414 . . . . 72.55 111.697 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 14.4 mptt -130.18 156.94 43.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.893 0.377 . . . . 61.41 110.627 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.02 118.31 20.42 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.655 -0.498 . . . . 73.44 109.655 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -90.51 176.12 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 74.45 109.521 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.92 -177.04 16.37 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.302 -0.951 . . . . 74.44 112.746 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 p -75.26 -77.54 0.12 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.291 . . . . 74.32 111.778 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.66 -58.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.49 -0.862 . . . . 50.34 112.812 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.14 -33.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 71.14 110.693 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 28' ' ' ILE . 61.4 tp -58.33 -43.72 88.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.856 -0.611 . . . . 73.51 110.312 175.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.54 -43.5 98.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 71.2 110.411 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -57.48 -46.69 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 75.01 110.682 175.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -59.21 -47.05 86.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.717 -0.674 . . . . 75.14 110.943 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.529 HG22 ' HB ' ' A' ' 33' ' ' ILE . 74.0 mt -63.38 -42.68 97.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.206 0.527 . . . . 75.14 110.743 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 62.2 mtt -64.66 -50.1 68.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.715 -0.675 . . . . 72.35 111.583 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.39 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.182 0.515 . . . . 75.22 110.368 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.621 ' HE3' HD13 ' A' ' 33' ' ' ILE . 1.8 ttp -63.25 -25.73 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.161 -0.927 . . . . 74.24 110.682 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.46 -18.63 6.04 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.858 -0.687 . . . . 65.43 112.33 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.621 HD13 ' HE3' ' A' ' 31' ' ' MET . 4.1 mp -81.64 103.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.131 0.491 . . . . 73.41 109.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.07 171.06 14.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.056 -0.52 . . . . 63.21 110.717 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -72.21 126.83 30.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.866 0.365 . . . . 71.41 110.751 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.63 -7.13 55.52 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.694 . . . . 34.33 112.695 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.66 144.6 27.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.728 0.299 . . . . 73.24 111.122 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -85.85 120.69 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 72.12 109.959 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 13' ' ' VAL . 27.9 mm -104.19 114.77 44.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.088 -0.505 . . . . 63.31 109.998 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.471 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 48.3 t80 -93.51 112.47 24.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.009 -0.541 . . . . 73.53 109.742 176.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.558 HG13 ' CB ' ' A' ' 7' ' ' ALA . 19.4 mm -85.07 110.15 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.327 -0.62 . . . . 73.43 109.327 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HD2' ' HG2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -102.35 -23.22 13.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.597 -0.441 . . . . 74.43 111.842 -174.725 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 63.8 tttm -150.95 127.26 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.68 0.276 . . . . 73.3 111.113 -176.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.3 t -124.74 122.0 62.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.436 -0.579 . . . . 55.52 109.436 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -70.73 145.26 92.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.569 -0.287 . . . . 71.34 110.78 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 34.0 Cg_exo -58.71 -27.86 84.7 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.905 2.403 . . . . 74.22 112.809 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD12 ' H ' ' A' ' 49' ' ' ASP . 3.8 pp -100.18 6.69 44.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.037 0.446 . . . . 71.53 110.792 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.22 -35.41 4.48 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.92 -0.582 . . . . 74.43 113.303 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.6 ' H ' HD12 ' A' ' 47' ' ' LEU . 23.1 t70 -118.27 130.37 24.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.996 0.398 . . . . 61.41 111.265 -173.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 98.4 Cg_endo -96.36 172.74 12.62 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.583 -1.424 . . . . 75.31 112.953 -2.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.5 mt -108.17 132.75 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.399 -0.593 . . . . 72.54 109.399 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.582 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 3.9 tp-100 -100.06 115.94 30.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.307 -0.406 . . . . 75.12 109.913 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.548 HG22 HD13 ' A' ' 41' ' ' ILE . 33.0 pt -119.97 139.37 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.88 0.372 . . . . 74.4 110.871 -177.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 86.9 m-20 -95.48 110.93 22.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 74.11 110.551 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.63 HG12 ' HG2' ' A' ' 56' ' ' ARG . 42.4 t -135.5 130.54 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.602 -0.727 . . . . 31.05 109.697 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HG2' HG12 ' A' ' 55' ' ' VAL . 34.2 mmt180 61.47 23.35 13.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.997 0.427 . . . . 75.22 111.269 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.11 -11.6 71.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.978 -0.629 . . . . 71.01 112.588 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -99.41 157.28 16.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.033 0.444 . . . . 51.44 111.12 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -99.37 113.32 25.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.872 -0.604 . . . . 55.01 109.416 171.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD13 ' HG2' ' A' ' 31' ' ' MET . 65.4 mt -102.59 128.26 49.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.639 -0.709 . . . . 74.34 110.631 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 p -90.62 109.72 20.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.123 -0.489 . . . . 64.44 109.863 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.6 tp -106.7 139.73 40.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.176 -0.466 . . . . 62.22 110.631 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.487 ' HG3' ' H ' ' A' ' 65' ' ' SER . 5.2 tpp180 -64.05 137.29 57.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 72.33 109.702 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.69 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 21.9 ptmt -55.6 -36.08 66.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.536 0.208 . . . . 74.31 110.75 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.487 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 40.2 t -61.12 -33.5 73.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.065 -0.516 . . . . 71.22 110.73 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.49 -40.13 57.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.308 -0.405 . . . . 72.23 110.019 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.96 85.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 52.42 111.114 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.041 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 6.0 pt-20 -76.8 0.94 18.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 54.15 111.458 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.4 ttm -111.84 -1.13 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.458 0.647 . . . . 73.55 109.677 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 66' ' ' ALA . 66.7 mt -103.69 130.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.828 -0.624 . . . . 63.13 110.17 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.6 tt0 -97.85 116.82 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.64 . . . . 74.23 109.926 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.723 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.6 m -130.83 -178.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.198 0.523 . . . . 75.02 111.075 -177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.15 144.66 40.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.538 -0.755 . . . . 74.22 109.047 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.536 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -69.29 113.7 6.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.246 -0.65 . . . . 64.24 109.246 -178.575 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 12' ' ' THR . 17.4 mm-40 -64.85 100.5 0.41 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.354 0.597 . . . . 73.02 110.592 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -62.58 112.4 2.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.985 -1.007 . . . . 62.13 108.507 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -110.71 86.69 2.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.528 0.68 . . . . 63.44 111.735 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -122.52 -37.72 2.75 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.439 -0.949 . . . . 72.55 108.439 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 56.97 38.17 29.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.814 -1.084 . . . . 63.33 112.382 170.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -168.45 125.81 1.07 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.262 -0.273 . . . . 63.13 110.262 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.663 -0.684 . . . . 63.25 109.519 177.02 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.026 -0.361 . . . . 73.13 110.026 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -120.13 97.82 5.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.354 0.597 . . . . 72.34 109.901 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.526 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 14.5 m -86.72 158.54 19.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.382 -0.827 . . . . 74.1 110.158 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.549 HD13 HG11 ' A' ' 72' ' ' VAL . 38.1 tp -58.98 -25.4 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.104 0.478 . . . . 73.53 110.278 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HD3' ' HG2' ' A' ' 68' ' ' GLU . 46.4 ttp180 -53.5 -34.43 58.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.375 -0.83 . . . . 73.14 111.696 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -7.18 58.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 73.14 111.959 -173.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.42 142.09 36.26 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.13 -0.322 . . . . 75.13 110.13 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -98.85 154.31 18.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.899 0.38 . . . . 74.2 110.51 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -65.97 125.5 25.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 70.14 110.429 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 8.85 27.92 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.64 -0.79 . . . . 71.53 112.416 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -114.69 163.97 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 51.12 110.392 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -122.7 115.37 21.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 41.44 109.986 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG22 HD11 ' A' ' 41' ' ' ILE . 34.0 m -119.04 161.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.378 -0.374 . . . . 61.22 110.405 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -119.89 143.18 48.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.915 0.388 . . . . 74.13 110.324 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 33' ' ' ILE . 57.5 t -79.16 129.3 37.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.597 -0.729 . . . . 75.3 110.445 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -114.71 -41.0 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.236 0.458 . . . . 65.23 112.236 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 81.1 tttt -139.26 125.25 19.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.272 0.558 . . . . 62.33 111.006 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.73 115.65 29.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.0 -0.545 . . . . 61.25 110.031 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -93.37 153.36 18.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.361 -0.381 . . . . 71.34 110.222 -178.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.34 -167.43 12.97 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.635 -0.793 . . . . 54.42 113.206 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -86.68 173.95 9.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.557 0.217 . . . . 72.24 110.81 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.81 -41.23 99.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.077 -0.582 . . . . 63.04 112.21 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.65 90.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.91 0.386 . . . . 72.4 111.109 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.3 mm? -70.99 -43.57 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 63.42 110.861 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -60.63 -43.12 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.92 0.39 . . . . 74.14 110.319 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -60.81 -39.11 87.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.917 -0.583 . . . . 72.1 111.344 177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.65 -47.69 82.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 62.12 110.556 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.642 HG22 ' HB ' ' A' ' 33' ' ' ILE . 76.8 mt -61.41 -44.42 98.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 70.44 110.748 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.564 ' HG2' HG22 ' A' ' 34' ' ' THR . 66.7 mtt -67.84 -34.82 77.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.249 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.09 -40.19 92.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.02 0.438 . . . . 74.02 110.261 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.613 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 64.5 mtm -68.19 -25.15 65.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 71.41 110.897 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.02 6.66 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.735 -0.745 . . . . 50.04 112.987 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.642 ' HB ' HG22 ' A' ' 28' ' ' ILE . 55.1 mt -102.95 108.78 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 64.04 111.681 -175.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.564 HG22 ' HG2' ' A' ' 29' ' ' MET . 57.2 p -121.29 177.1 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.097 -0.705 . . . . 72.22 109.097 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 -72.82 135.03 45.14 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.518 -0.473 . . . . 75.13 110.31 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.21 67.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.651 . . . . 53.11 112.271 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -79.25 145.3 33.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 74.25 110.791 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -98.88 136.07 39.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.555 -0.748 . . . . 71.21 110.277 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.427 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 61.3 mt -120.76 122.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 71.45 110.16 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -90.96 102.32 15.08 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.021 -0.733 . . . . 64.31 109.021 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 41' ' ' ILE . 3.9 mp -69.46 116.39 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.394 -0.595 . . . . 72.45 109.394 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -91.68 -48.02 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.586 -0.734 . . . . 64.3 111.129 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -152.28 117.45 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 53.34 111.298 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.515 HG22 HG23 ' A' ' 51' ' ' ILE . 51.3 t -103.88 134.77 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.549 -0.537 . . . . 73.31 109.549 175.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -87.88 143.56 33.57 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.689 -0.485 . . . . 72.24 109.689 173.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.3 Cg_exo -61.29 -21.79 72.75 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.947 2.431 . . . . 73.13 112.713 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -73.82 -24.39 59.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.228 0.537 . . . . 62.43 110.313 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.35 -11.69 43.54 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.769 -0.729 . . . . 45.3 111.466 -174.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 4.2 p-10 -149.69 142.89 16.22 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 110.213 -0.292 . . . . 73.14 110.213 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 93.5 Cg_endo -89.37 155.5 33.15 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.058 -1.643 . . . . 63.5 112.325 -4.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.515 HG23 HG22 ' A' ' 44' ' ' VAL . 64.3 mt -109.62 111.1 34.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.083 -0.508 . . . . 74.35 109.993 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.57 118.51 24.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.094 -0.503 . . . . 73.25 109.884 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.5 pt -122.78 136.92 58.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.047 -0.524 . . . . 75.34 110.141 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -94.1 110.38 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.657 -0.497 . . . . 74.25 109.657 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.681 HG12 ' HG3' ' A' ' 56' ' ' ARG . 53.9 t -120.52 120.77 63.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 72.22 110.356 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.681 ' HG3' HG12 ' A' ' 55' ' ' VAL . 31.6 mtm180 60.38 21.38 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 64.54 111.813 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.87 -1.42 57.99 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.673 -0.775 . . . . 50.33 112.847 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -116.6 131.41 56.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 75.43 110.227 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.91 111.17 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.656 0.741 . . . . 75.33 111.119 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 mt -95.91 127.48 41.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.119 -0.946 . . . . 51.4 110.314 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 p -89.39 105.96 18.13 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.358 -0.608 . . . . 60.34 109.358 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -112.74 130.52 56.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.14 -0.482 . . . . 61.3 109.812 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.83 169.25 15.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.716 0.293 . . . . 74.15 110.615 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 19.1 ptpt -56.94 -35.4 69.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.925 -0.579 . . . . 54.5 111.976 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.8 m -53.81 -53.9 45.95 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.212 0.32 . . . . 72.35 111.528 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.72 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.147 -0.221 . . . . 63.04 111.361 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.45 67.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.805 0.336 . . . . 74.4 111.377 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 58.9 mt-10 -78.86 -25.44 44.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.038 0.446 . . . . 50.03 110.401 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 83.9 mtp -84.66 -11.74 55.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.853 -0.612 . . . . 71.25 111.421 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.465 HG22 HG13 ' A' ' 72' ' ' VAL . 61.4 mt -97.15 112.45 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.808 0.337 . . . . 62.43 110.77 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 10.8 tp10 -82.58 117.07 22.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.739 -0.837 . . . . 71.02 108.739 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.549 HG11 HD13 ' A' ' 4' ' ' LEU . 22.6 m -121.45 158.65 24.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.592 0.711 . . . . 61.11 111.679 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -130.44 142.26 50.5 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.08 -0.964 . . . . 73.04 109.362 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.47 HD13 HG12 ' A' ' 13' ' ' VAL . 4.1 mm? -68.92 171.14 8.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.051 0.453 . . . . 73.02 111.205 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.12 171.81 7.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.881 -0.6 . . . . 61.23 110.818 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -127.79 33.17 4.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.932 0.396 . . . . 70.01 110.202 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -66.34 -25.7 66.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.556 -0.747 . . . . 74.01 110.506 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -87.06 12.91 10.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.506 0.67 . . . . 75.12 110.203 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -131.26 -64.9 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.76 . . . . 73.32 109.871 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 53.35 77.56 0.17 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.107 -0.951 . . . . 71.33 110.929 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.226 -0.892 . . . . 71.52 110.267 -178.223 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.674 0.273 . . . . 74.44 110.577 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -117.61 111.22 18.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 75.24 109.051 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 16.9 p -86.7 149.44 24.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.151 -0.477 . . . . 51.34 111.061 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 13' ' ' VAL . 55.1 tp -64.31 -24.18 67.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.854 -0.612 . . . . 62.23 110.869 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.556 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 3.0 tmm_? -70.7 -19.0 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 74.11 111.072 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -88.15 -13.34 41.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.108 0.48 . . . . 52.55 110.618 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.21 49.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.981 -0.554 . . . . 54.1 110.093 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.06 157.15 16.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.291 0.567 . . . . 54.34 111.273 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.8 p -66.98 125.52 26.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 72.22 111.043 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.2 -2.63 29.77 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.811 -0.709 . . . . 52.05 111.922 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -106.12 165.55 11.15 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.159 -0.311 . . . . 70.34 110.159 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -125.42 122.23 36.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.995 0.426 . . . . 74.13 110.525 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.723 HG12 HD22 ' A' ' 74' ' ' LEU . 33.6 m -114.69 173.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 64.33 110.925 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -127.52 131.95 50.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.896 -0.593 . . . . 73.33 109.632 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.602 ' HA ' HG12 ' A' ' 72' ' ' VAL . 46.8 t -77.68 114.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.36 -0.607 . . . . 55.25 109.36 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -108.64 -39.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.912 0.387 . . . . 73.33 111.624 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 86.7 tttt -142.23 152.93 43.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.164 -0.471 . . . . 73.15 109.774 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -132.09 111.96 11.92 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 64.21 109.829 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -82.25 -85.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.757 -0.46 . . . . 65.11 109.757 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' A' ' 69' ' ' MET . . . 55.94 -144.07 35.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.738 -0.665 . . . . 72.42 113.067 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 p -118.23 14.1 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.213 0.53 . . . . 63.21 110.498 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 87.96 -60.78 4.11 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.794 -0.717 . . . . 44.03 111.578 -173.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -27.6 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 73.41 110.831 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 66' ' ' ALA . 54.1 tp -68.79 -33.83 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 74.24 110.384 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' ' HA2' ' A' ' 22' ' ' GLY . 9.1 mtpm? -61.1 -46.26 91.34 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.104 -0.498 . . . . 60.22 110.689 -178.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -61.37 -41.27 96.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.891 -0.595 . . . . 41.55 110.686 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -62.64 -42.01 99.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 61.31 110.9 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.523 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 74.1 mt -65.15 -45.46 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 73.21 110.534 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.533 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 70.5 mtm -63.38 -32.59 74.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 54.51 111.348 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.58 -35.53 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 70.34 111.288 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.523 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 65.3 mtm -76.67 -4.64 44.21 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.434 -0.348 . . . . 73.04 111.346 -177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.47 2.33 47.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.931 -0.652 . . . . 61.21 111.928 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 29' ' ' MET . 36.1 mm -101.19 108.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.754 0.311 . . . . 72.04 110.549 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -136.75 176.17 8.95 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.117 -0.327 . . . . 61.52 110.117 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -69.19 117.26 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.098 -0.501 . . . . 74.23 110.187 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.35 -10.52 11.62 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.122 -0.561 . . . . 43.03 112.264 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.9 m -90.46 148.13 22.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 72.24 111.126 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -97.2 143.93 27.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.31 176.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.426 HG12 HG21 ' A' ' 55' ' ' VAL . 43.1 mt -126.21 120.17 56.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.149 0.499 . . . . 74.11 111.025 -177.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -95.81 108.14 20.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.138 -0.69 . . . . 73.11 109.138 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.2 mp -77.46 125.5 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 61.44 110.118 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HB2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 mmm180 -87.71 -57.04 3.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.802 -0.635 . . . . 63.41 111.214 -175.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 36.8 ttmt -150.52 137.78 19.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.458 -0.337 . . . . 75.31 110.459 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.55 138.41 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.234 -0.654 . . . . 52.31 109.234 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.12 145.23 56.0 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.371 -0.233 . . . . 54.43 110.371 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.5 -20.44 56.98 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.04 2.494 . . . . 74.22 112.937 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -104.32 0.23 28.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 70.51 110.782 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.923 ' HA3' ' HD3' ' A' ' 64' ' ' LYS . . . 126.11 -90.69 0.38 Allowed Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 121.111 -0.566 . . . . 72.01 112.574 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.787 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 5.3 p-10 -107.51 165.32 13.01 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 120.514 0.197 . . . . 64.53 110.733 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.787 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.9 Cg_endo -75.64 137.27 48.88 Favored 'Cis proline' 0 C--N 1.343 0.24 0 C-N-CA 123.318 -1.534 . . . . 72.34 112.982 2.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.65 112.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 73.34 109.404 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.708 ' HB3' ' HB2' ' A' ' 42' ' ' ARG . 21.5 mm-40 -79.43 114.27 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.897 -0.592 . . . . 74.02 110.694 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.509 HG13 ' HB2' ' A' ' 60' ' ' LEU . 39.1 pt -122.68 136.29 59.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.887 -0.412 . . . . 74.1 109.887 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -108.45 109.82 21.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.032 -0.358 . . . . 70.45 110.032 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.72 HG12 ' HG2' ' A' ' 56' ' ' ARG . 58.4 t -136.5 133.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.068 -0.514 . . . . 72.43 110.184 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.72 ' HG2' HG12 ' A' ' 55' ' ' VAL . 4.2 mmp_? 63.44 18.31 10.95 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.962 -0.563 . . . . 73.45 111.083 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.32 67.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.089 -0.577 . . . . 74.14 112.303 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -87.28 136.99 32.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.839 0.352 . . . . 74.02 110.774 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -90.16 112.86 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.765 -0.828 . . . . 74.44 108.765 172.305 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HB2' HG13 ' A' ' 53' ' ' ILE . 85.6 mt -109.69 127.77 54.81 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.763 -0.653 . . . . 74.4 111.421 -173.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -93.9 105.76 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 74.33 109.494 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.9 tp -105.43 134.7 48.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.908 0.385 . . . . 72.33 110.513 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.57 142.49 44.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 73.3 109.64 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.923 ' HD3' ' HA3' ' A' ' 48' ' ' GLY . 18.6 pttp -67.52 -24.99 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.826 -0.35 . . . . 73.05 111.009 -175.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -52.82 -36.55 58.74 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.057 0.456 . . . . 54.41 110.41 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.596 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -77.84 -50.16 12.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 60.25 111.025 174.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -61.59 -29.25 69.91 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.69 0.626 . . . . 42.2 112.69 -172.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 42.4 mt-10 -76.63 -12.05 59.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.886 0.374 . . . . 75.41 111.197 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.454 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 1.1 mpt? -107.05 1.25 24.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.506 . . . . 72.31 110.789 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.642 HG22 HG13 ' A' ' 72' ' ' VAL . 73.5 mt -91.08 133.6 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.573 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.715 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 5.2 tp10 -99.46 109.53 22.09 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.561 -0.533 . . . . 73.33 109.561 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.642 HG13 HG22 ' A' ' 70' ' ' ILE . 30.5 m -126.78 164.51 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.033 0.444 . . . . 62.22 111.072 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -116.29 144.47 44.19 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.364 -0.606 . . . . 75.4 109.364 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.723 HD22 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -84.99 49.19 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.503 -0.554 . . . . 74.24 109.503 179.183 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 56.26 90.92 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.928 -0.578 . . . . 64.42 109.492 -175.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -151.47 -32.41 0.15 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.428 0.529 . . . . 74.12 112.428 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -82.15 70.75 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.998 0.427 . . . . 62.11 111.67 -172.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 45.0 68.44 0.56 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.781 -1.1 . . . . 64.44 113.261 170.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -137.55 81.7 1.88 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.428 -0.582 . . . . 72.12 109.428 170.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -66.79 127.73 33.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.267 -0.879 . . . . 64.12 111.114 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.246 0.895 0 CA-C-N 115.571 -0.74 . . . . 72.33 109.662 177.295 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.859 0.361 . . . . 53.42 110.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -105.43 113.91 27.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.166 -0.679 . . . . 72.43 109.166 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -96.4 172.74 7.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.826 0.346 . . . . 52.33 110.629 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.467 HD13 HG11 ' A' ' 72' ' ' VAL . 32.4 tp -70.71 -16.18 62.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.253 0.549 . . . . 75.21 110.146 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 5' ' ' ARG . 15.2 tpt180 -83.63 -14.48 51.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.958 -0.565 . . . . 74.12 110.103 177.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -81.76 -21.6 37.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.085 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.433 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . -83.19 151.7 25.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.023 -0.535 . . . . 65.12 110.966 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 7' ' ' ALA . 13.5 mptt -118.02 173.7 6.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 74.33 110.978 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.707 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 1.8 p -64.03 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.8 -0.636 . . . . 72.03 111.539 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.68 -15.26 63.71 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.726 -0.67 . . . . 72.04 112.27 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -93.6 126.27 38.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.043 0.449 . . . . 64.54 110.956 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -92.99 118.08 30.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.599 -0.728 . . . . 73.23 110.39 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.417 HG12 HD13 ' A' ' 74' ' ' LEU . 35.4 m -118.91 165.56 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.236 -0.438 . . . . 62.43 110.544 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -121.32 128.71 52.57 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.886 -0.413 . . . . 70.35 109.886 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.623 ' HA ' HG12 ' A' ' 72' ' ' VAL . 61.9 t -70.45 126.27 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.42 . . . . 63.13 110.547 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -117.6 -39.22 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.152 0.427 . . . . 63.23 112.152 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.848 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 12.0 mptt -132.25 140.86 48.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 73.32 111.041 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.485 ' CD2' HD12 ' A' ' 70' ' ' ILE . 81.6 mt -113.71 103.24 11.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.038 -0.727 . . . . 75.33 109.038 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.419 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 36.4 m-70 -85.93 -85.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 64.11 110.275 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.804 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . 59.76 -159.17 22.7 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.128 -0.558 . . . . 43.32 113.405 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.624 HG22 HD23 ' A' ' 24' ' ' LEU . 15.0 t -121.82 21.72 10.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.776 0.798 . . . . 73.44 109.871 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.5 -63.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 70.53 112.361 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.69 -37.65 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.088 0.47 . . . . 63.43 111.325 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.624 HD23 HG22 ' A' ' 21' ' ' THR . 4.1 mm? -62.66 -39.85 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 54.31 111.09 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HE3' ' O ' ' A' ' 19' ' ' HIS . 98.7 mttt -55.24 -52.96 61.71 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.327 0.392 . . . . 74.04 110.885 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -59.25 -52.42 65.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.95 -0.568 . . . . 73.01 111.333 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.643 ' O ' ' HG3' ' A' ' 31' ' ' MET . 41.9 mtp180 -59.14 -48.69 80.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 73.24 111.514 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.591 ' CD1' HD11 ' A' ' 70' ' ' ILE . 77.0 mt -63.74 -32.93 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.009 0.433 . . . . 72.2 110.65 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtm -70.19 -40.75 74.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 63.3 110.771 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.35 -30.91 70.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 73.51 111.292 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 39.9 mtt -66.69 -22.79 66.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 60.15 110.907 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.71 5.09 26.08 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.412 -0.675 . . . . 70.23 111.412 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 39' ' ' ILE . 47.5 mm -98.18 111.5 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 65.42 110.557 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -127.25 173.91 9.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.379 -0.373 . . . . 55.2 110.315 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 35' ' ' ARG . 11.9 mtp180 -68.24 120.23 14.06 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.571 -0.529 . . . . 72.12 109.571 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.86 6.25 30.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.841 -0.695 . . . . 74.52 112.264 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.86 144.36 30.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.598 0.237 . . . . 60.35 110.726 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -89.42 142.34 27.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.299 -0.409 . . . . 64.1 110.428 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 33' ' ' ILE . 56.5 mt -142.45 129.99 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 33.24 109.367 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.604 ' CE1' ' HB3' ' A' ' 54' ' ' ASN . 6.2 p90 -116.43 135.5 53.79 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.982 -0.748 . . . . 75.54 108.982 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.707 ' HB ' ' HA ' ' A' ' 9' ' ' CYS . 27.4 mm -70.34 118.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.667 -0.494 . . . . 74.41 109.667 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' H ' ' HA ' ' A' ' 53' ' ' ILE . 11.8 tpt180 -73.47 -57.99 3.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.933 -0.576 . . . . 73.21 109.778 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -155.35 145.73 21.95 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.974 -0.557 . . . . 71.31 109.728 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 51' ' ' ILE . 55.4 t -110.37 126.78 67.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.424 -0.584 . . . . 75.23 109.424 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.66 144.86 63.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 62.35 110.122 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.5 -21.7 25.07 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.155 2.57 . . . . 73.24 113.433 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.757 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.5 pt? -101.96 3.78 39.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.621 -0.263 . . . . 71.32 111.563 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.37 -23.6 17.99 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.983 -0.627 . . . . 61.41 112.894 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 15.1 t70 -127.02 124.7 24.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.24 -0.281 . . . . 73.0 110.24 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 94.9 Cg_endo -96.79 -165.41 1.08 Allowed 'Cis proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.635 -1.402 . . . . 74.43 112.55 -2.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG22 HG13 ' A' ' 44' ' ' VAL . 17.2 pt -116.67 135.04 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 64.32 110.342 175.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -97.79 128.03 44.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.858 -0.61 . . . . 75.35 109.593 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.472 ' HA ' ' H ' ' A' ' 42' ' ' ARG . 39.4 pt -124.76 156.51 33.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.764 -0.458 . . . . 60.21 109.764 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.604 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 18.1 t-20 -119.51 110.3 16.73 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.717 -0.475 . . . . 63.32 109.717 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.827 HG12 ' HG2' ' A' ' 56' ' ' ARG . 22.0 t -138.12 136.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.102 -0.499 . . . . 71.31 110.139 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.827 ' HG2' HG12 ' A' ' 55' ' ' VAL . 13.0 mmt85 67.52 11.92 8.62 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.729 0.411 . . . . 72.12 111.409 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.25 -2.62 71.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.054 -0.593 . . . . 74.45 112.137 -175.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -107.76 139.29 42.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.971 0.415 . . . . 72.43 110.925 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.81 110.12 21.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.476 0.655 . . . . 64.11 109.801 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 mt -105.42 152.2 23.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.465 -0.789 . . . . 74.34 109.58 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -127.72 114.96 17.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.617 -0.433 . . . . 62.24 110.158 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.92 141.09 38.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.954 -0.566 . . . . 63.23 109.974 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -72.25 155.56 40.07 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.632 -0.427 . . . . 71.21 109.963 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -56.34 -34.68 66.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.521 . . . . 73.5 111.565 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -60.7 -39.84 90.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 42.22 111.409 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.585 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -75.43 -33.95 60.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.047 -0.353 . . . . 55.22 110.047 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' HD11 ' A' ' 51' ' ' ILE . . . -60.62 -43.45 97.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.611 . . . . 62.31 111.399 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.11 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.251 -0.431 . . . . 71.45 111.292 -178.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.804 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 64.6 mtt -91.03 -11.16 39.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 74.13 110.627 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 28' ' ' ILE . 36.7 mm -98.27 129.74 48.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.107 -0.497 . . . . 62.25 110.261 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.848 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.4 tt0 -102.04 125.04 48.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 74.14 109.628 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 15' ' ' VAL . 29.3 m -132.3 174.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.14 0.495 . . . . 74.32 111.331 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -139.15 143.04 38.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.38 -0.827 . . . . 65.13 109.492 177.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.417 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? -69.51 133.6 47.88 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.444 -0.206 . . . . 60.21 110.444 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.3 102.25 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.779 -0.822 . . . . 74.52 108.779 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -163.54 71.15 0.24 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.572 -0.899 . . . . 75.33 108.572 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -47.47 112.71 0.58 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.456 -1.247 . . . . 61.11 112.612 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -126.21 151.85 46.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 71.43 110.786 174.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -127.83 102.87 6.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.663 -0.699 . . . . 71.54 109.548 172.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -156.49 142.39 17.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.105 -0.498 . . . . 65.21 109.906 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 39.9 m170 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.486 -0.768 . . . . 71.2 109.136 176.552 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.443 ' HE2' ' HB2' ' A' ' 1' ' ' MET . 22.4 ptm . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 109.9 -0.407 . . . . 54.04 109.9 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -129.07 93.14 3.52 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.263 -0.643 . . . . 72.51 109.263 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 m -114.06 -176.83 2.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 73.03 110.938 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.606 HD21 HG21 ' A' ' 53' ' ' ILE . 19.4 tp -61.62 -22.32 65.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.782 -0.645 . . . . 73.33 111.009 -178.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HG2' ' HB3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -78.67 -12.66 60.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.819 -0.628 . . . . 52.44 110.871 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.425 ' CG ' ' HE ' ' A' ' 5' ' ' ARG . 4.1 m-20 -91.82 -18.77 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 54.42 111.748 -174.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.94 179.39 7.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.194 0.521 . . . . 65.23 112.11 -173.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -107.5 -176.65 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 72.11 110.149 -178.185 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.517 ' SG ' ' HB ' ' A' ' 44' ' ' VAL . 36.0 m -82.37 141.21 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 62.54 110.66 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.87 5.58 89.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.961 -0.638 . . . . 74.31 112.805 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -87.17 146.33 26.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 73.3 111.241 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 m -103.41 106.79 17.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 74.1 109.801 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -113.01 159.7 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.329 -0.396 . . . . 72.33 110.477 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -120.04 141.92 49.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.802 0.334 . . . . 74.13 111.004 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.62 132.54 31.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.887 -0.597 . . . . 74.24 111.233 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 m -118.02 -42.84 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.033 0.383 . . . . 74.3 112.033 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 55.1 mtmt -135.9 161.7 34.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.54 0.21 . . . . 74.34 110.525 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 61.5 mt -134.97 112.57 10.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.17 0.509 . . . . 65.35 111.127 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 35.7 m-70 -88.99 175.6 7.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.454 -0.793 . . . . 73.24 109.705 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.45 176.29 14.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.401 -0.904 . . . . 71.4 112.915 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -87.42 24.59 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.022 0.439 . . . . 75.12 111.662 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.58 -55.92 4.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.668 -0.777 . . . . 73.02 111.637 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.45 90.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 43.12 110.552 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.33 -46.93 81.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 71.33 110.613 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 97.2 mttt -53.39 -49.26 67.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 72.14 110.239 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.25 -51.22 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 74.11 110.822 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' A' ' 31' ' ' MET . 10.0 ttm180 -54.78 -47.84 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 74.41 110.826 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.746 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 96.0 mt -58.26 -49.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.856 -0.611 . . . . 71.44 110.929 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.4 mtt -62.61 -43.28 99.22 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.095 0.474 . . . . 63.14 110.857 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.43 -0.805 . . . . 73.41 111.414 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.746 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.1 mtm -78.21 -6.15 54.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 64.25 111.116 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.52 4.86 34.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.659 -0.782 . . . . 71.13 112.552 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.706 HG23 HD11 ' A' ' 39' ' ' ILE . 54.0 mt -94.97 95.91 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.311 0.577 . . . . 62.34 110.607 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 p -113.86 172.23 7.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.643 -0.708 . . . . 72.02 110.688 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -73.16 117.35 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 71.53 110.169 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.55 -15.61 22.06 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.701 -0.762 . . . . 72.01 112.955 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.24 145.23 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.28 0.54 . . . . 72.01 110.688 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.33 113.2 25.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.811 -0.631 . . . . 65.41 110.123 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.706 HD11 HG23 ' A' ' 33' ' ' ILE . 64.6 mt -104.33 116.15 47.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.178 0.513 . . . . 53.21 110.825 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -83.04 113.64 20.73 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.382 -0.826 . . . . 74.34 109.639 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -78.31 119.86 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.946 -0.39 . . . . 73.4 109.946 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.72 ' HG3' ' HG2' ' A' ' 43' ' ' LYS . 18.8 tpp180 -78.55 -58.84 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.897 0.379 . . . . 74.23 110.681 -176.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.72 ' HG2' ' HG3' ' A' ' 42' ' ' ARG . 75.0 mmtt -144.02 134.13 24.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 63.11 110.94 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HB ' ' SG ' ' A' ' 9' ' ' CYS . 57.6 t -120.81 124.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.041 -0.726 . . . . 74.23 109.041 172.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 145.23 89.5 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.641 -0.254 . . . . 52.33 110.873 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.93 -23.51 75.96 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.791 2.327 . . . . 74.51 111.889 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.751 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.2 pt? -92.89 9.88 33.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.775 -0.648 . . . . 71.52 110.57 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -79.66 0.32 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.865 -0.607 . . . . 71.42 111.619 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.632 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.4 p-10 -106.49 160.14 27.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 110.111 -0.329 . . . . 74.03 110.111 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.632 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 90.2 Cg_endo -81.15 153.3 81.32 Favored 'Cis proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.166 -1.597 . . . . 52.04 113.152 0.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.448 HG23 HG22 ' A' ' 44' ' ' VAL . 59.1 mt -108.64 115.89 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.83 -0.623 . . . . 73.32 109.743 176.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -98.6 121.48 40.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.668 -0.696 . . . . 74.51 110.291 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 4' ' ' LEU . 30.6 pt -121.22 150.75 24.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.336 -0.393 . . . . 75.24 110.258 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -109.8 110.21 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.844 0.354 . . . . 72.51 110.286 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.604 HG12 ' HG2' ' A' ' 56' ' ' ARG . 59.7 t -111.92 128.16 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 74.13 109.784 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG2' HG12 ' A' ' 55' ' ' VAL . 21.1 mmt180 66.11 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.793 0.683 . . . . 61.33 109.965 -175.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.7 18.07 0.42 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.603 -0.999 . . . . 63.41 110.603 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -124.72 132.72 53.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.619 . . . . 73.21 109.327 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 42' ' ' ARG . 41.5 mt-10 -91.39 130.55 37.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 70.21 111.394 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.06 125.83 52.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.956 . . . . 74.32 110.285 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -97.25 107.05 19.48 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.603 -0.517 . . . . 72.14 109.603 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.9 mt -109.58 142.2 41.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.187 -0.46 . . . . 55.3 110.792 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -78.3 171.58 14.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.549 . . . . 75.1 110.26 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -57.33 -37.07 71.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 72.14 110.879 -173.454 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' A' ' 69' ' ' MET . 18.0 m -59.66 -45.25 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.408 0.521 . . . . 51.12 112.408 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -31.74 61.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 71.5 110.641 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.29 73.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 75.35 111.214 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.623 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 6.1 pt-20 -87.71 3.13 49.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 73.23 110.885 177.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 65' ' ' SER . 67.1 mtt -98.39 -27.03 14.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.956 0.408 . . . . 74.54 110.104 174.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.46 HG12 HD13 ' A' ' 28' ' ' ILE . 56.3 mt -85.99 98.33 6.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.312 -0.404 . . . . 74.54 110.406 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.545 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.2 tp10 -74.42 123.39 24.59 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.579 -0.897 . . . . 72.4 108.579 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -129.17 -176.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.734 0.778 . . . . 73.02 112.217 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -144.3 130.88 20.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.587 -1.188 . . . . 75.44 109.107 175.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.1 tp -103.41 133.56 48.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.328 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.1 141.72 58.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.967 -0.56 . . . . 74.21 110.378 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 79' ' ' HIS . 58.6 m80 -123.25 137.34 54.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.017 -0.538 . . . . 74.44 110.339 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -69.49 -28.96 66.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.387 -0.597 . . . . 75.04 109.387 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -140.79 97.54 3.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.332 -0.849 . . . . 74.44 109.458 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 76' ' ' HIS . 56.1 t-80 -110.27 75.04 0.91 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.971 0.415 . . . . 75.43 110.049 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -170.33 130.17 0.9 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.768 -0.651 . . . . 75.21 109.355 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.536 -0.745 . . . . 63.0 109.95 178.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.59 0.233 . . . . 74.2 110.53 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -109.61 124.28 50.88 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.339 -0.615 . . . . 74.21 109.339 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -105.58 148.83 26.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.673 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.28 -25.56 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.435 0.636 . . . . 71.42 109.737 176.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.866 ' HD2' ' HG3' ' A' ' 68' ' ' GLU . 31.6 ttt-85 -58.9 -23.93 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.049 -0.978 . . . . 74.11 111.285 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -114.23 8.22 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.262 0.553 . . . . 73.33 110.841 -172.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 126.83 30.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 73.25 109.905 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 12.2 mptt -77.8 157.02 30.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.3 -175.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.06 130.13 41.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.036 -0.529 . . . . 63.43 110.958 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 4.65 59.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.832 -0.699 . . . . 75.5 112.206 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -94.88 156.52 16.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.092 0.473 . . . . 45.04 110.93 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 m -118.68 114.43 22.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.531 -0.759 . . . . 61.04 109.123 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.39 162.58 12.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.46 . . . . 71.15 111.474 -174.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 38' ' ' GLU . 2.5 tpmt? -119.27 120.34 36.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.56 -0.746 . . . . 75.34 109.473 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.597 ' HA ' HG12 ' A' ' 72' ' ' VAL . 53.0 t -69.34 125.51 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 110.364 -0.236 . . . . 73.24 110.364 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG23 ' HG2' ' A' ' 71' ' ' GLU . 10.7 m -120.33 -41.95 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.308 0.485 . . . . 75.22 112.308 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.798 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 60.9 mttp -132.09 150.42 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.04 0.448 . . . . 73.03 111.035 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.48 95.28 4.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.412 -0.588 . . . . 63.23 109.412 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -85.42 2.32 44.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.874 -172.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . -65.67 -45.16 90.65 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.79 -0.719 . . . . 65.23 111.808 176.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.429 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 10.7 m 75.23 133.42 0.05 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.21 0.604 . . . . 75.54 112.431 174.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 26' ' ' ARG . . . 55.87 -107.1 0.73 Allowed Glycine 0 C--N 1.334 0.462 0 CA-C-N 115.528 -0.76 . . . . 72.23 113.694 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.74 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.168 0.508 . . . . 72.43 111.733 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.85 -45.47 64.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 72.14 110.637 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 21' ' ' THR . 96.4 mttt -58.25 -48.6 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 74.12 110.839 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 30.5 mmm-85 -57.69 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.01 111.616 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -57.7 -45.1 86.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.838 0.352 . . . . 72.31 110.859 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.616 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 94.9 mt -63.97 -46.48 93.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.084 -0.507 . . . . 75.11 110.962 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.92 -34.79 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 74.33 111.236 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.81 -29.93 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 73.33 110.945 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.616 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 63.8 mtm -81.02 2.43 27.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.07 -0.514 . . . . 62.2 110.905 178.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.98 -5.31 59.45 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.898 -0.668 . . . . 50.23 112.509 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.577 HG12 HG11 ' A' ' 55' ' ' VAL . 27.5 mt -86.25 95.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.446 . . . . 74.15 109.979 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 p -118.77 154.01 33.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 62.12 110.67 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -60.67 121.27 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 71.14 110.006 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.02 -18.79 9.64 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.862 -0.685 . . . . 75.3 112.104 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -84.45 167.39 16.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.875 0.369 . . . . 74.13 110.712 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . 8.2 pt-20 -117.41 140.95 48.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.053 -0.521 . . . . 71.44 110.355 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 55' ' ' VAL . 55.8 mt -124.54 130.18 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.956 -0.566 . . . . 71.34 110.401 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -100.09 120.71 40.27 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.579 -0.737 . . . . 72.52 109.533 173.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.8 mp -94.97 125.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.249 -0.432 . . . . 63.44 110.034 -177.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 54' ' ' ASN . 1.2 mpt_? -97.51 -57.33 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.986 0.422 . . . . 64.42 111.226 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 59.3 mmtt -121.8 130.33 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.102 -0.499 . . . . 74.13 112.246 -172.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.2 t -122.25 123.91 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.925 -1.034 . . . . 73.13 108.377 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 150.12 91.79 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.648 -0.251 . . . . 71.53 110.972 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.52 -17.75 55.76 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.91 2.407 . . . . 73.24 112.66 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.739 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.3 pt? -111.09 6.21 20.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.434 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.48 -78.83 0.25 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 121.03 -0.605 . . . . 74.52 112.645 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.772 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 9.2 p-10 -91.07 149.42 39.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.675 0.274 . . . . 65.23 111.221 -175.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -93.85 157.84 18.3 Favored 'Cis proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.942 -1.274 . . . . 64.41 112.712 -2.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.424 HG22 HG23 ' A' ' 53' ' ' ILE . 63.6 mt -105.08 129.69 57.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.032 -0.531 . . . . 72.41 110.504 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 2.0 mp0 -99.67 112.77 24.97 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.288 -0.415 . . . . 63.01 110.472 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 34.8 pt -125.78 163.74 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 73.22 110.87 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 27.0 t-20 -120.22 122.8 41.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 73.21 110.076 177.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.737 HG12 ' HG2' ' A' ' 56' ' ' ARG . 40.0 t -132.58 129.19 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 75.42 109.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.737 ' HG2' HG12 ' A' ' 55' ' ' VAL . 36.4 mmt180 67.0 9.69 7.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.319 0.387 . . . . 72.13 111.178 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.27 -16.04 60.51 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.627 -0.589 . . . . 55.43 111.627 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.451 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 93.1 m-85 -86.83 152.93 22.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.419 . . . . 74.53 110.72 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -85.56 122.45 29.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 75.3 110.042 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' HG ' HD11 ' A' ' 33' ' ' ILE . 3.6 mm? -119.04 131.32 55.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.251 0.548 . . . . 74.24 110.849 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -122.24 106.67 11.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.804 -0.635 . . . . 61.32 109.722 176.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.72 149.61 29.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.938 0.399 . . . . 75.34 111.055 -176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 5.6 tpp180 -73.55 163.77 27.56 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.88 -0.6 . . . . 71.4 109.939 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.772 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 33.0 ttmt -46.65 -45.03 18.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.135 -0.939 . . . . 75.22 111.606 175.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 p -56.43 -50.69 70.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.73 -0.668 . . . . 50.4 112.464 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -64.81 -51.93 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 73.43 111.392 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.56 -30.9 67.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.777 0.798 . . . . 43.24 110.982 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.866 ' HG3' ' HD2' ' A' ' 5' ' ' ARG . 32.4 tt0 -69.91 -26.99 64.42 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.458 -1.246 . . . . 73.41 111.28 -175.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.453 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 65.4 mtt -96.48 -3.93 42.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.073 0.464 . . . . 74.33 111.127 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.459 HG22 HG13 ' A' ' 72' ' ' VAL . 70.5 mt -92.17 121.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 64.31 110.494 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.798 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.8 tt0 -97.68 118.9 35.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.585 -0.524 . . . . 73.21 109.585 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.7 m -124.29 163.73 23.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.635 -0.711 . . . . 74.32 110.009 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 1.003 ' HG2' ' HB2' ' A' ' 76' ' ' HIS . 8.2 tp10 -117.54 153.02 33.91 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.675 -0.693 . . . . 71.01 109.137 179.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.78 55.68 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 71.52 110.41 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 63.1 81.78 0.2 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.974 -1.012 . . . . 64.44 111.27 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 1.003 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -103.87 116.42 32.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.715 -0.846 . . . . 73.4 108.715 175.69 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 76' ' ' HIS . 25.1 m-70 72.95 144.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.864 0.727 . . . . 61.42 110.579 -174.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -110.54 -41.48 4.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.277 0.56 . . . . 64.33 109.873 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -157.92 150.11 22.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.521 -0.763 . . . . 71.31 109.074 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -68.57 117.6 10.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.851 0.358 . . . . 75.43 111.406 -173.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.9 t60 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.347 -0.835 . . . . 74.31 109.358 173.833 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 110.129 -0.323 . . . . 74.23 110.129 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -120.41 111.5 17.82 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.201 -0.666 . . . . 53.22 109.201 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -85.18 160.44 19.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.972 0.415 . . . . 62.12 111.671 -174.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.719 HD13 HG11 ' A' ' 72' ' ' VAL . 47.3 tp -67.39 -31.2 71.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.91 -0.586 . . . . 64.52 110.646 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.07 ' HG2' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.81 -6.56 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 74.51 110.852 179.053 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -96.15 0.29 51.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.729 0.776 . . . . 70.34 109.689 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.27 133.6 34.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.792 . . . . 55.35 110.541 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -78.86 161.84 26.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 73.41 111.502 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 t -65.92 132.24 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.265 -0.879 . . . . 74.42 110.762 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.87 3.67 62.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.954 -0.641 . . . . 72.33 112.688 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -108.48 146.81 32.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.898 0.38 . . . . 74.11 110.995 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -104.58 115.21 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 74.42 110.119 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.479 HG12 HD22 ' A' ' 74' ' ' LEU . 20.8 m -115.08 153.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.051 -0.522 . . . . 72.05 110.114 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -108.88 128.33 54.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.484 0.183 . . . . 74.3 111.128 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.861 ' HA ' HG12 ' A' ' 72' ' ' VAL . 65.9 t -70.89 127.7 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 64.15 110.666 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.579 HG23 ' HG3' ' A' ' 71' ' ' GLU . 5.6 m -112.6 -41.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.502 0.556 . . . . 54.45 112.502 -176.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HB3' ' OE1' ' A' ' 71' ' ' GLU . 4.7 mtmt -144.5 153.32 41.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.059 0.457 . . . . 70.34 111.164 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.546 HD23 HG23 ' A' ' 70' ' ' ILE . 66.6 mt -124.18 124.41 42.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.565 -0.743 . . . . 61.03 110.257 -177.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.557 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 67.7 m-70 -93.24 152.55 19.12 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.752 -0.462 . . . . 62.25 109.752 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.67 161.25 9.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.64 -0.79 . . . . 70.21 112.387 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -90.25 55.27 3.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.913 0.863 . . . . 53.4 111.269 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.16 -64.99 2.71 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.785 -0.643 . . . . 40.14 113.009 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.3 98.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 63.12 111.131 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 49.9 tp -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 71.42 110.498 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 94.2 mttt -59.97 -46.87 88.04 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-O 120.888 0.375 . . . . 75.31 110.482 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -59.11 -45.26 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 61.13 110.863 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -55.02 -51.51 66.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 60.32 110.751 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.655 HG22 ' HB ' ' A' ' 33' ' ' ILE . 81.5 mt -56.97 -45.38 83.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 73.45 111.14 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 61.9 mtm -70.51 -29.24 65.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 73.23 111.441 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.98 -38.35 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 53.12 110.945 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.52 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.9 mpp? -70.05 -17.99 63.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.809 0.338 . . . . 74.45 111.021 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.64 -5.93 14.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.835 -0.697 . . . . 73.11 112.288 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.657 HG23 HD11 ' A' ' 39' ' ' ILE . 18.0 mm -82.39 108.65 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.774 0.321 . . . . 74.21 110.216 -177.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -142.55 -179.42 6.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.706 -0.398 . . . . 70.54 110.663 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -75.89 125.67 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.77 0.319 . . . . 64.32 110.718 -174.577 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.57 7.43 51.29 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.834 -0.698 . . . . 54.3 113.174 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.65 140.74 35.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.068 0.434 . . . . 71.12 110.484 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.1 mp0 -90.66 129.78 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.807 -0.442 . . . . 74.33 109.807 175.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.657 HD11 HG23 ' A' ' 33' ' ' ILE . 59.6 mt -118.84 118.43 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.108 0.48 . . . . 63.2 110.827 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -80.43 114.85 19.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.61 -0.723 . . . . 51.12 109.542 171.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -76.02 103.33 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.363 -0.606 . . . . 75.14 109.363 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -66.26 -56.2 12.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.906 -0.588 . . . . 72.42 110.821 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -152.52 134.14 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.854 0.359 . . . . 73.14 111.373 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.74 131.78 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.964 -0.754 . . . . 73.13 108.964 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.78 145.23 70.2 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.675 -0.239 . . . . 74.24 111.072 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.15 -18.38 57.91 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.831 2.354 . . . . 74.41 112.723 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.9 pt? -106.74 11.2 30.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 64.34 110.511 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 -77.02 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.697 -0.561 . . . . 72.31 111.697 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.743 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 1.9 p-10 -125.68 170.57 9.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.923 -0.399 . . . . 71.51 109.923 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.743 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 59.7 Cg_endo -70.82 139.5 58.09 Favored 'Cis proline' 0 C--N 1.351 0.684 0 C-N-CA 123.809 -1.329 . . . . 63.02 113.121 3.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.7 mt -94.54 121.17 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.575 -0.739 . . . . 74.21 109.288 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 51.3 mt-30 -91.97 118.28 30.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 75.32 110.565 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.406 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.0 pt -120.82 137.11 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.924 -0.58 . . . . 72.13 110.534 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -95.07 110.42 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 50.15 111.005 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.898 HG12 ' HG2' ' A' ' 56' ' ' ARG . 52.2 t -145.3 134.14 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 73.4 110.172 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.898 ' HG2' HG12 ' A' ' 55' ' ' VAL . 35.5 mmt180 67.18 20.86 10.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 122.942 0.497 . . . . 53.44 110.952 175.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.92 12.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.655 -0.783 . . . . 44.44 111.558 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -89.05 157.16 18.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.986 0.422 . . . . 75.42 110.604 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -113.07 110.48 20.53 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.022 -0.733 . . . . 63.44 109.022 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 31' ' ' MET . 51.0 mt -90.27 149.56 22.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.979 -1.009 . . . . 73.11 111.271 -169.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 m -100.63 106.73 18.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.824 -0.625 . . . . 71.24 109.35 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.56 137.7 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.94 0.4 . . . . 73.21 111.004 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.524 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 17.5 tpt180 -73.46 142.41 46.85 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.809 -0.632 . . . . 61.31 109.416 177.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.658 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 22.4 pttm -58.17 -34.49 70.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.493 -0.322 . . . . 74.42 111.52 -176.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -60.17 -44.0 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.98 0.419 . . . . 71.52 111.105 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 73.44 110.644 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 5' ' ' ARG . . . -69.24 -20.75 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 73.32 111.159 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.07 ' HG2' ' HG2' ' A' ' 5' ' ' ARG . 40.2 mt-10 -86.55 -17.04 35.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.518 . . . . 74.45 110.065 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 1.9 tpt -86.75 -16.01 37.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 73.3 110.309 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.546 HG23 HD23 ' A' ' 18' ' ' LEU . 73.9 mt -100.4 132.06 46.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.841 -0.618 . . . . 74.41 110.055 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 16' ' ' VAL . 2.7 pt-20 -106.1 142.83 35.14 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 119.478 -0.889 . . . . 75.21 110.708 171.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -135.51 176.17 9.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.925 -1.034 . . . . 62.54 109.764 -177.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -126.07 144.08 50.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.961 0.41 . . . . 74.55 110.682 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD22 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -77.87 110.38 12.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.552 -0.907 . . . . 74.21 108.552 177.28 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.47 102.71 4.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.313 0.577 . . . . 72.22 110.677 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -147.25 29.75 0.96 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.775 -0.824 . . . . 62.44 108.775 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -63.72 -32.04 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.183 -0.917 . . . . 65.5 111.445 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -79.05 84.32 5.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.085 0.469 . . . . 62.11 110.836 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -168.77 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.566 -0.743 . . . . 71.03 109.707 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -77.2 127.41 32.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.683 -0.689 . . . . 74.45 110.445 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.257 -0.878 . . . . 70.42 109.758 174.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.923 0.392 . . . . 74.13 110.812 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.629 ' HD2' HG23 ' A' ' 72' ' ' VAL . 70.1 t80 -122.29 110.49 15.75 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.751 -0.833 . . . . 75.12 108.751 175.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.673 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 13.0 m -83.13 151.3 25.78 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.834 -0.621 . . . . 74.11 110.937 -175.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 39' ' ' ILE . 42.1 tp -64.58 -23.57 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 75.11 110.518 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 1.1 ptt180 -64.21 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 74.55 110.571 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 m-20 -88.7 -1.09 57.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.834 -0.621 . . . . 52.51 111.04 -176.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.22 118.44 26.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.607 -0.516 . . . . 65.42 109.607 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.538 ' HA ' HG21 ' A' ' 44' ' ' VAL . 1.3 mptm? -94.84 170.87 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.309 0.576 . . . . 75.33 112.02 -173.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.502 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 5.2 p -60.77 124.28 19.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.255 -0.884 . . . . 72.31 111.286 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.91 -9.79 60.15 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.762 -0.732 . . . . 61.41 112.252 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -93.49 157.83 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.082 0.468 . . . . 74.53 110.567 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -126.86 128.58 46.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.724 . . . . 75.11 109.721 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 HD22 ' A' ' 74' ' ' LEU . 24.5 m -128.05 177.86 5.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.417 -0.356 . . . . 73.34 110.733 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -132.38 126.95 34.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.953 -0.567 . . . . 52.43 110.332 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.888 ' HA ' HG12 ' A' ' 72' ' ' VAL . 60.8 t -78.88 125.68 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.981 -0.377 . . . . 71.11 109.981 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.94 -44.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.144 -0.622 . . . . 70.13 112.462 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.32 137.56 40.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.568 0.699 . . . . 62.22 111.643 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' CD2' HD12 ' A' ' 70' ' ' ILE . 46.8 mt -100.89 119.1 38.2 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.288 -0.869 . . . . 65.21 108.788 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' MET . 52.6 m170 -88.36 -2.92 58.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.752 0.31 . . . . 53.11 111.58 -173.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . -84.9 165.9 40.44 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.696 -0.764 . . . . 75.25 112.273 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 22' ' ' GLY . 1.6 m -85.33 -174.86 5.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.612 -0.514 . . . . 61.34 109.612 177.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.738 ' H ' HG22 ' A' ' 21' ' ' THR . . . -50.65 -43.49 46.46 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.666 0.627 . . . . 45.33 114.666 -173.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.148 0.474 . . . . 72.02 110.882 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' HG ' ' HE1' ' A' ' 69' ' ' MET . 4.2 mm? -72.64 -46.49 53.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 51.53 109.977 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 29' ' ' MET . 99.5 mttt -56.09 -53.71 53.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 72.33 111.084 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -64.8 -33.66 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.51 111.059 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpt180 -61.88 -46.99 86.98 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.141 0.496 . . . . 70.53 110.149 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.6 HG22 ' HB ' ' A' ' 33' ' ' ILE . 63.1 mt -71.41 -37.06 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.555 -0.748 . . . . 65.54 110.881 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 67.9 mtt -65.31 -43.24 91.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 71.5 111.173 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.22 -33.15 70.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.405 0.621 . . . . 61.04 110.279 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.628 ' HE1' HD13 ' A' ' 62' ' ' LEU . 3.0 ttp -67.9 -24.21 65.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.063 -0.972 . . . . 60.45 110.842 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.82 -15.75 16.47 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.089 -0.577 . . . . 51.15 112.072 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.6 ' HB ' HG22 ' A' ' 28' ' ' ILE . 18.2 mt -82.16 115.4 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 51.12 110.183 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 p -131.71 -176.23 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.988 -0.551 . . . . 55.42 110.997 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -81.13 128.88 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.06 -0.348 . . . . 73.1 110.06 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.03 27.45 37.39 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.035 -0.602 . . . . 72.04 112.62 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.83 149.26 28.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.89 0.345 . . . . 75.23 110.516 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.46 120.81 26.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.661 -0.7 . . . . 64.41 109.953 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 4' ' ' LEU . 38.1 mm -112.63 114.48 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.032 -0.531 . . . . 74.53 110.773 -175.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 90.6 t80 -104.18 124.55 49.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 74.31 109.959 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 mm -91.1 118.85 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 74.35 110.694 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 37.2 mmt180 -74.55 -56.73 4.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.747 -0.66 . . . . 74.24 110.506 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 73.4 tttt -147.85 137.67 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.629 . . . . 75.23 111.172 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 8' ' ' LYS . 61.4 t -113.39 123.49 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.791 -0.818 . . . . 73.34 108.791 170.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -71.8 144.47 88.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.591 -0.277 . . . . 45.54 110.629 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 38.1 Cg_exo -62.45 -22.15 73.68 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.949 2.432 . . . . 73.34 112.287 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -80.24 -18.36 49.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.852 -0.613 . . . . 72.4 109.819 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.06 -43.02 1.54 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.649 -0.705 . . . . 55.25 111.657 -178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.708 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.3 p-10 -155.66 167.94 13.21 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.443 -0.577 . . . . 74.03 109.443 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.708 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 56.6 Cg_endo -70.43 147.59 86.39 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.888 -1.297 . . . . 54.44 113.618 2.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.35 132.16 39.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.345 -0.843 . . . . 63.23 109.048 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -98.5 121.57 40.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.245 . . . . 74.04 110.517 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 39' ' ' ILE . 2.7 mp -120.79 158.37 23.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.712 -0.477 . . . . 62.41 109.712 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -118.93 110.14 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.66 -0.496 . . . . 61.41 109.66 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.591 HG12 ' HG2' ' A' ' 56' ' ' ARG . 45.6 t -130.06 129.16 65.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.232 -0.655 . . . . 64.52 109.232 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.591 ' HG2' HG12 ' A' ' 55' ' ' VAL . 5.0 mmt85 63.98 19.73 11.88 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.195 0.521 . . . . 74.51 110.402 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.28 7.24 87.93 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.938 -0.573 . . . . 63.44 112.031 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 130.16 54.74 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.142 -0.318 . . . . 71.54 110.142 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.08 135.34 42.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.729 -0.471 . . . . 52.14 109.729 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.605 HD13 ' HG2' ' A' ' 31' ' ' MET . 84.6 mt -126.76 135.08 50.6 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.807 -0.633 . . . . 73.23 110.8 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -98.27 106.6 18.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 74.54 109.79 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.628 HD13 ' HE1' ' A' ' 31' ' ' MET . 61.6 tp -106.49 141.94 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.113 0.482 . . . . 54.0 110.532 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 139.26 38.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.775 -0.648 . . . . 73.01 109.817 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 49' ' ' ASP . 23.5 pttm -60.27 -30.76 69.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.507 -0.315 . . . . 70.33 111.312 -175.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 m -60.05 -39.35 85.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 74.44 110.865 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.556 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -76.11 -33.69 59.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.06 0.457 . . . . 74.21 110.573 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.29 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.053 -0.521 . . . . 72.2 111.434 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 11.6 pt-20 -92.48 5.77 49.58 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 62.35 112.087 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.507 ' HE1' ' HG ' ' A' ' 24' ' ' LEU . 21.4 ptm -114.68 14.7 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.306 0.574 . . . . 73.13 110.347 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 66' ' ' ALA . 39.2 mm -116.46 134.94 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 74.22 110.756 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.52 115.39 28.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.965 -0.561 . . . . 65.11 109.593 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.888 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.1 m -132.08 169.66 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.916 0.389 . . . . 50.54 110.824 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.86 166.0 21.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.251 -0.432 . . . . 73.15 110.094 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.482 HD22 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -83.83 133.23 34.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.929 0.395 . . . . 74.34 110.98 -177.683 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -94.68 -164.48 1.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.602 -0.888 . . . . 65.23 108.602 174.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -62.35 108.18 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 74.42 110.528 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -87.08 73.25 9.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.605 0.717 . . . . 64.54 111.109 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -110.17 90.46 3.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.936 0.874 . . . . 70.04 110.112 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -119.56 -10.68 9.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.409 -0.814 . . . . 73.15 109.607 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -83.16 -21.05 33.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 65.41 109.193 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 C--O 1.248 0.983 0 CA-C-N 115.051 -0.977 . . . . 62.5 109.034 177.118 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.653 ' HG3' ' HB2' ' A' ' 71' ' ' GLU . 25.7 ttt . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.821 0.343 . . . . 75.2 110.502 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -102.04 110.95 23.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.033 -0.729 . . . . 70.22 109.033 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -76.64 141.16 41.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.545 -0.298 . . . . 75.24 111.057 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 62.6 tp -60.48 -33.01 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 73.53 110.258 176.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' HD3' ' HA2' ' A' ' 48' ' ' GLY . 0.7 OUTLIER -67.07 -28.76 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 74.3 110.483 177.001 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.62 -13.3 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 75.32 111.059 -173.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 -174.1 2.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.942 -0.572 . . . . 74.02 110.534 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -133.18 170.02 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.515 0.198 . . . . 73.15 110.575 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.6 p -74.58 147.75 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.479 -0.328 . . . . 61.14 110.855 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.51 0.08 88.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.969 -0.634 . . . . 22.13 112.278 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -100.17 143.45 30.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 71.32 110.519 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 m -104.99 111.71 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 72.32 110.337 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG12 HD13 ' A' ' 74' ' ' LEU . 33.7 m -112.73 160.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.083 -0.508 . . . . 64.4 110.87 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 9.3 ttmt -121.2 134.45 55.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 73.34 109.621 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.566 ' HA ' HG12 ' A' ' 72' ' ' VAL . 47.0 t -70.83 121.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 121.126 -0.23 . . . . 53.11 110.491 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -32.03 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.137 0.421 . . . . 64.24 112.137 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.758 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -138.34 123.94 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.727 -0.389 . . . . 70.25 111.609 -178.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 70' ' ' ILE . 98.9 mt -103.75 102.87 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.544 . . . . 74.12 109.836 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 69' ' ' MET . 26.4 m-70 -78.76 173.14 12.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.876 0.369 . . . . 75.15 110.126 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.632 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 96.81 176.87 35.25 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.271 -0.731 . . . . 44.13 111.271 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -133.3 118.95 19.14 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.164 0.482 . . . . 61.22 111.062 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.07 -90.74 0.09 OUTLIER Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.934 -0.575 . . . . 65.11 113.748 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.14 57.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.097 0.406 . . . . 64.31 112.097 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.55 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 62.52 110.858 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.632 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -59.72 -53.2 60.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.685 -0.689 . . . . 44.24 110.933 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -57.69 -40.3 79.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.717 -0.674 . . . . 72.32 110.885 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.443 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.681 HG22 ' HB ' ' A' ' 33' ' ' ILE . 59.1 mt -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.725 -0.67 . . . . 61.32 111.585 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.537 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 69.3 mtm -66.31 -34.28 77.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.995 0.369 . . . . 75.22 111.995 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.04 -28.36 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 63.34 110.999 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.9 mtm -81.11 -4.14 54.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 72.04 111.054 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.49 -1.24 34.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.067 -0.587 . . . . 63.22 112.112 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.681 ' HB ' HG22 ' A' ' 28' ' ' ILE . 29.7 mt -96.22 102.45 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 74.32 110.986 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.517 ' HA ' HD11 ' A' ' 18' ' ' LEU . 9.0 t -139.11 165.56 26.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.634 -0.506 . . . . 75.24 109.634 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.36 124.86 21.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.309 0.576 . . . . 71.53 110.433 -177.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.54 -31.57 5.9 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.415 -0.811 . . . . 54.4 111.548 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.1 151.82 24.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.792 0.329 . . . . 64.24 110.503 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -102.39 160.98 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 64.43 110.907 179.05 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 33' ' ' ILE . 76.3 mt -135.14 126.47 46.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.554 -0.748 . . . . 60.51 110.004 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 89.0 t80 -89.36 116.24 27.42 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.027 -0.731 . . . . 71.13 109.027 171.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.41 123.19 37.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.972 0.415 . . . . 55.54 111.117 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 14.4 mmt85 -90.34 -57.41 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.828 -0.624 . . . . 74.31 111.326 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 64.1 mmtt -140.71 114.65 9.05 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.16 0.43 . . . . 73.32 112.16 -174.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.0 t -113.64 124.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.558 -0.904 . . . . 71.55 108.558 169.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.49 144.1 93.91 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 120.974 -0.29 . . . . 74.34 110.282 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 53.2 Cg_exo -56.83 -27.73 73.43 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.899 2.399 . . . . 70.25 112.272 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tt -85.12 -44.62 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 71.34 109.642 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.493 ' HA2' ' HD3' ' A' ' 5' ' ' ARG . . . 162.9 -86.85 0.11 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.987 -0.625 . . . . 73.51 112.124 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 6.2 p-10 -84.44 151.24 58.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.518 0.199 . . . . 74.15 110.559 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -88.34 166.33 40.62 Favored 'Cis proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.372 -1.512 . . . . 71.2 112.613 -0.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 49' ' ' ASP . 4.3 mp -117.78 102.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 70.33 109.823 178.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 93.7 mt-30 -89.13 126.99 35.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.852 -0.613 . . . . 71.4 109.887 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 pt -135.74 151.51 29.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.986 -0.552 . . . . 64.33 110.579 -175.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -110.68 110.81 21.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 64.51 109.376 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.63 HG12 ' HG3' ' A' ' 56' ' ' ARG . 38.6 t -114.27 118.6 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 44.34 110.356 -177.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HG3' HG12 ' A' ' 55' ' ' VAL . 36.7 mtp180 69.34 -7.69 0.8 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.662 -0.699 . . . . 74.24 112.124 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.85 -19.43 5.83 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.582 -0.607 . . . . 63.25 111.582 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -90.64 132.68 35.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.11 0.481 . . . . 74.33 110.731 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -90.46 124.0 34.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 73.32 110.231 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.5 156.95 34.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.527 -0.76 . . . . 71.34 110.583 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -127.62 110.72 12.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.69 -0.485 . . . . 72.43 109.69 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.8 mt -106.46 159.36 16.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 74.33 110.785 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -89.67 168.98 11.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.068 -0.514 . . . . 71.34 110.4 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -58.97 -42.2 89.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 61.45 110.785 -176.195 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 m -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.815 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -72.36 -44.98 61.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.047 0.451 . . . . 60.0 111.031 -178.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 4' ' ' LEU . . . -63.52 -33.86 76.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.309 0.576 . . . . 75.31 111.384 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.66 -13.39 51.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.879 -0.601 . . . . 72.13 111.386 -174.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptm -97.33 -1.02 45.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.043 0.449 . . . . 72.43 110.37 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 18' ' ' LEU . 37.0 mm -105.92 126.81 61.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.903 0.382 . . . . 72.22 110.474 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.758 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 2.3 tt0 -97.24 125.29 41.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.693 . . . . 72.14 109.461 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 15' ' ' VAL . 24.6 m -127.07 160.32 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 62.51 111.414 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -104.54 124.8 49.94 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.003 -0.999 . . . . 74.22 109.792 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.543 HD12 ' H ' ' A' ' 75' ' ' GLU . 14.0 tp -98.54 141.15 31.74 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 109.686 -0.487 . . . . 65.21 109.686 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.543 ' H ' HD12 ' A' ' 74' ' ' LEU . 5.1 tm-20 -49.82 116.66 1.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.729 0.643 . . . . 72.45 110.08 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -130.73 117.14 18.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 74.54 111.071 -174.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 50.5 m80 -145.48 164.25 32.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.725 -0.671 . . . . 64.24 109.223 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 42.6 m80 71.06 -5.94 1.41 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.056 0.543 . . . . 65.43 111.054 -176.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -90.26 66.56 6.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.255 -0.646 . . . . 64.12 109.255 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -68.85 -30.32 68.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.727 -0.67 . . . . 75.33 110.357 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.311 -0.852 . . . . 64.44 109.134 176.233 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HG3' ' OE1' ' A' ' 71' ' ' GLU . 27.7 ttt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.721 0.296 . . . . 72.41 110.331 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -130.71 100.26 5.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.864 -0.791 . . . . 75.24 108.864 173.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 80.1 p -90.37 172.5 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.97 -0.559 . . . . 15.44 111.179 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.571 HD13 HG11 ' A' ' 72' ' ' VAL . 27.9 tp -64.12 -23.48 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 44.1 110.039 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -83.57 -8.44 59.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.874 -0.603 . . . . 71.43 110.672 177.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -90.5 -11.29 40.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.842 0.353 . . . . 71.23 110.254 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.89 172.2 14.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 72.14 110.279 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 2.9 mptp? -125.01 156.23 38.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.613 -0.267 . . . . 74.3 110.294 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 p -64.15 129.51 40.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 71.01 110.344 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.79 43.63 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.814 -0.708 . . . . 73.42 112.147 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.37 147.93 39.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 60.44 111.227 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -109.07 121.02 44.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.841 -0.618 . . . . 63.54 109.892 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.5 m -120.75 172.5 7.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.287 -0.415 . . . . 71.15 110.301 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 45.1 mtmt -131.83 150.68 52.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.851 0.358 . . . . 71.03 110.457 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.689 ' HB ' ' HA ' ' A' ' 35' ' ' ARG . 38.8 t -80.31 131.17 34.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.801 -0.636 . . . . 74.12 110.496 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.4 m -120.11 -41.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.981 0.363 . . . . 72.15 111.981 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -140.42 139.18 35.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.766 0.317 . . . . 64.25 110.158 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.09 116.4 29.08 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.903 -0.319 . . . . 34.23 110.831 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 69' ' ' MET . 9.2 m-70 -86.67 154.13 21.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.45 -0.574 . . . . 71.22 109.45 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.08 164.04 10.44 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.275 -0.964 . . . . 75.33 112.778 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.28 33.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.876 0.369 . . . . 63.44 111.517 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.27 -64.87 3.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.111 -0.566 . . . . 63.41 112.6 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.61 92.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.62 0.248 . . . . 72.54 111.293 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -61.25 -45.22 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.997 -0.371 . . . . 73.24 109.997 178.208 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -58.66 -47.72 83.48 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.978 -0.556 . . . . 72.24 110.96 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.473 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 1.9 tmt_? -63.13 -36.03 82.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 72.53 110.139 -178.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.02 -41.88 97.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 54.54 110.418 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.516 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 76.0 mt -59.67 -48.97 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 55.1 110.323 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.25 -30.46 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.498 -0.773 . . . . 64.55 111.047 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.94 -35.62 80.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.056 -0.52 . . . . 61.2 111.284 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 65.5 mtm -74.08 -19.73 60.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 73.43 111.25 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.63 -7.81 11.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.944 -0.646 . . . . 23.24 112.366 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.543 HG23 HD11 ' A' ' 39' ' ' ILE . 4.2 mp -83.02 96.41 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.24 0.543 . . . . 63.34 110.084 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 p -118.31 161.16 20.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.686 -0.688 . . . . 53.24 110.1 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 16.2 ptt180 -64.52 141.24 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 73.21 110.537 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.66 -10.53 70.68 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.92 -0.657 . . . . 64.11 112.5 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.51 143.8 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.846 0.355 . . . . 64.13 110.838 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 1.1 mp0 -84.86 130.9 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.631 -0.713 . . . . 73.5 110.543 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.788 HG12 HG22 ' A' ' 55' ' ' VAL . 49.9 mt -120.53 115.07 45.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.895 -0.593 . . . . 75.21 110.016 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 88.6 t80 -93.87 121.57 35.47 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 73.15 109.849 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.2 mm -75.4 102.13 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.784 -0.821 . . . . 73.42 108.784 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.65 ' HD3' ' HG2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -89.61 -54.44 4.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.073 -0.512 . . . . 74.02 111.029 -170.787 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.65 ' HG2' ' HD3' ' A' ' 42' ' ' ARG . 73.5 mmtt -137.61 140.48 40.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 74.44 111.228 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.24 116.26 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.907 -0.775 . . . . 65.02 108.907 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -64.56 143.15 98.58 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 55.13 111.208 -176.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 12.0 Cg_exo -70.61 79.47 1.21 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.035 2.49 . . . . 73.11 111.63 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 tt -179.26 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.194 -1.039 . . . . 75.34 108.194 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.02 -30.31 2.96 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.043 -0.981 . . . . 72.42 111.268 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.7 p-10 -148.59 157.44 41.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.436 -0.579 . . . . 70.54 109.436 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 69.1 Cg_endo -86.28 170.29 42.44 Favored 'Cis proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.44 -1.483 . . . . 71.33 112.901 -0.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -96.25 116.63 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.847 -0.797 . . . . 74.14 108.847 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB3' ' HB2' ' A' ' 43' ' ' LYS . 35.7 tt0 -89.37 112.82 24.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.286 0.565 . . . . 74.42 109.864 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.598 HD11 HD23 ' A' ' 62' ' ' LEU . 33.1 pt -121.35 161.23 21.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 65.5 111.461 -173.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 80.4 m-20 -111.36 110.96 21.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 72.15 110.066 174.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.788 HG22 HG12 ' A' ' 39' ' ' ILE . 28.9 t -125.81 135.72 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.354 -0.61 . . . . 52.53 109.354 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmt85 67.5 -70.95 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.8 0.687 . . . . 60.55 110.316 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.61 21.78 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.644 -0.982 . . . . 53.11 110.644 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -119.72 154.97 33.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.881 0.372 . . . . 61.54 111.443 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.4 110.53 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.524 -0.917 . . . . 75.11 108.524 167.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD12 ' HB ' ' A' ' 55' ' ' VAL . 97.3 mt -113.59 150.19 33.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.778 0.323 . . . . 71.01 110.955 -175.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 p -113.98 110.78 20.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 54.12 110.663 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 53' ' ' ILE . 2.5 mm? -107.15 133.54 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.869 -0.605 . . . . 64.3 110.135 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 63' ' ' ARG . 0.2 OUTLIER -73.58 150.61 41.32 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.796 -0.361 . . . . 73.31 110.028 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -60.79 -31.75 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.437 -0.347 . . . . 70.23 110.39 -177.735 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -61.66 -43.07 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 72.14 110.839 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.96 -39.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.041 0.448 . . . . 45.15 110.53 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.2 77.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 72.21 111.583 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 11.8 pt-20 -79.85 4.2 17.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.939 0.348 . . . . 72.33 111.939 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 16.2 ptm -125.11 8.48 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 74.33 110.619 175.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 3' ' ' SER . 76.5 mt -98.27 117.56 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.501 -0.555 . . . . 54.44 109.501 173.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' OE1' ' HG3' ' A' ' 1' ' ' MET . 13.2 tp10 -82.84 121.38 26.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.595 -0.521 . . . . 63.43 109.595 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG11 HD13 ' A' ' 4' ' ' LEU . 28.6 m -125.53 166.39 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 73.44 112.076 -176.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -128.85 149.39 50.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.069 -0.969 . . . . 73.3 109.406 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.37 162.74 22.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.614 0.721 . . . . 55.4 112.548 -172.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.08 172.9 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.379 -1.282 . . . . 72.04 111.633 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -140.33 87.9 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 52.52 110.365 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -81.65 150.24 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.918 -0.583 . . . . 73.15 109.646 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -100.47 136.05 40.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.368 -0.378 . . . . 62.12 110.797 -173.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -66.82 154.53 40.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 72.24 111.211 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -83.53 -20.69 33.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.793 -0.639 . . . . 73.12 111.633 -172.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.295 -0.86 . . . . 65.25 110.437 -178.102 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.89 -0.411 . . . . 62.13 109.89 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.849 ' HZ ' HD23 ' A' ' 74' ' ' LEU . 60.0 t80 -117.51 88.07 2.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.315 -0.624 . . . . 72.42 109.315 175.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.408 ' OG ' ' HB3' ' A' ' 5' ' ' ARG . 80.5 p -118.01 -177.33 3.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.727 -0.67 . . . . 63.05 110.759 -176.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 53' ' ' ILE . 21.2 tp -66.18 -18.86 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.514 0.673 . . . . 74.35 109.637 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HB3' ' OG ' ' A' ' 3' ' ' SER . 3.0 tpm_? -70.16 -34.99 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 63.12 110.623 176.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -88.77 -18.2 28.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.922 -0.581 . . . . 64.34 111.6 -174.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.546 -0.297 . . . . 74.34 111.452 -177.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -119.07 161.4 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 71.33 111.25 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.514 ' HB3' HG23 ' A' ' 44' ' ' VAL . 9.4 p -73.6 146.97 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 65.44 110.362 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.8 -14.23 65.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.94 -0.648 . . . . 54.12 111.613 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -94.04 158.95 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 72.34 110.354 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.459 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 24.4 m -119.12 119.72 35.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.973 -0.558 . . . . 75.1 109.927 177.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.64 HG12 HD22 ' A' ' 74' ' ' LEU . 31.8 m -120.72 171.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.09 -0.505 . . . . 74.31 109.933 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -129.51 135.0 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.284 -0.265 . . . . 53.55 110.284 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.689 HG21 HG23 ' A' ' 33' ' ' ILE . 61.9 t -75.77 117.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 63.23 110.196 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.31 -29.68 2.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.911 0.708 . . . . 72.41 112.911 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 77.4 tttt -141.74 139.37 32.83 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.727 0.299 . . . . 73.35 110.346 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.95 113.55 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.381 -0.372 . . . . 63.14 110.556 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.17 168.99 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.259 -0.428 . . . . 72.23 110.334 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.88 173.81 17.45 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.739 -0.743 . . . . 64.34 112.068 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -76.15 -79.02 0.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.775 0.321 . . . . 72.12 111.356 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.51 -55.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.89 -0.671 . . . . 70.3 111.594 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.28 -32.93 73.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.627 0.251 . . . . 74.54 110.857 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.1 mm? -63.23 -50.47 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 64.21 110.358 176.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 47.0 mtpt -56.52 -53.34 58.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 72.52 110.758 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.686 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 94.9 mtt180 -65.42 -34.36 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.541 . . . . 74.45 112.142 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -56.45 -42.95 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.203 0.525 . . . . 74.22 110.202 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.634 HG22 ' HB ' ' A' ' 33' ' ' ILE . 77.1 mt -77.2 -52.3 16.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.399 -0.819 . . . . 74.54 111.439 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.686 ' HG3' ' HA ' ' A' ' 26' ' ' ARG . 4.8 ppp? -64.34 -30.5 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.022 -0.535 . . . . 71.04 111.741 -174.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.67 -21.67 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 74.01 111.152 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.52 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 69.5 mtm -89.34 7.01 37.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 70.43 111.191 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 -1.12 37.32 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.477 -0.868 . . . . 52.51 112.45 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 15' ' ' VAL . 24.0 mm -86.57 73.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.106 0.479 . . . . 72.42 109.791 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 35' ' ' ARG . 35.2 p -101.76 22.79 12.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.446 0.536 . . . . 75.12 112.446 -170.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 34' ' ' THR . 63.7 ttt180 71.46 118.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.734 0.646 . . . . 75.55 110.556 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.28 18.2 37.17 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.946 -0.862 . . . . 43.45 110.946 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 33' ' ' ILE . 5.4 p -109.17 132.5 54.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.214 -0.493 . . . . 71.33 110.035 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 139.24 38.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.177 0.513 . . . . 73.12 110.905 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 53' ' ' ILE . 45.5 mm -115.41 114.71 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.287 -0.87 . . . . 63.01 110.422 -177.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.702 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t80 -92.62 100.78 13.23 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.695 -0.854 . . . . 71.43 108.695 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.502 ' HA ' HG22 ' A' ' 53' ' ' ILE . 21.8 mt -71.92 105.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.051 0.453 . . . . 74.22 109.906 -177.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 42' ' ' ARG . 12.3 tpp85 -80.96 -55.19 4.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.69 -0.686 . . . . 62.42 111.832 -172.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.2 138.15 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.741 -0.384 . . . . 63.02 111.558 -168.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.514 HG23 ' HB3' ' A' ' 9' ' ' CYS . 60.6 t -115.83 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.563 -0.532 . . . . 75.31 109.563 175.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.78 146.51 95.66 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.384 -0.371 . . . . 64.41 111.283 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 36.5 Cg_exo -61.66 -16.38 48.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.395 2.73 . . . . 54.43 113.091 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.4 mt -85.83 0.37 53.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.563 . . . . 74.51 110.14 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.15 -32.11 7.5 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.515 -0.766 . . . . 71.23 111.278 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.801 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 18.9 p-10 -155.68 167.52 14.06 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.898 -0.779 . . . . 63.33 108.898 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.801 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.3 Cg_endo -73.71 153.93 99.37 Favored 'Cis proline' 0 C--O 1.235 0.329 0 C-N-CA 123.209 -1.579 . . . . 72.41 112.805 2.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.2 mt -94.23 110.9 24.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.57 -0.9 . . . . 73.44 108.57 174.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -85.89 112.43 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.547 -0.751 . . . . 72.4 109.675 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 39' ' ' ILE . 39.2 pt -120.79 150.33 23.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.065 0.459 . . . . 73.33 110.777 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.702 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 13.3 m120 -96.88 110.34 22.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 51.23 110.47 178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.632 HG12 ' HG2' ' A' ' 56' ' ' ARG . 64.7 t -113.94 117.67 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.285 -0.871 . . . . 60.31 109.548 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.632 ' HG2' HG12 ' A' ' 55' ' ' VAL . 6.3 mmm180 65.09 10.55 6.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.339 -0.846 . . . . 75.51 111.001 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.13 40.37 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 64.11 112.343 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 93.2 m-85 -98.17 156.69 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.61 0.205 . . . . 74.24 110.662 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 54' ' ' ASN . 24.4 mp0 -102.98 115.99 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.813 -0.44 . . . . 72.1 109.813 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 31' ' ' MET . 2.4 pp -133.21 154.59 50.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.087 -0.338 . . . . 72.54 110.087 177.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.666 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 14.0 m -107.57 134.73 50.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 61.13 112.281 -171.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -112.56 142.02 45.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.793 -0.639 . . . . 73.02 110.31 173.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -78.79 159.71 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.655 -0.498 . . . . 64.34 109.655 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HD2' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -57.57 -38.39 74.75 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 111.609 0.225 . . . . 60.11 111.609 -175.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 48.7 m -73.43 -35.6 65.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 42.3 111.017 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.88 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 33.55 110.787 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.04 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.366 0.603 . . . . 73.22 110.948 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -74.81 -17.32 60.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.146 -0.934 . . . . 65.4 110.904 -175.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.5 mmt -81.48 -10.2 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.255 0.55 . . . . 64.23 110.072 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.6 mt -98.18 106.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 74.3 111.048 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 14.2 tp10 -77.3 117.73 19.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 65.01 109.15 176.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 35.1 m -123.64 179.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.171 0.51 . . . . 72.22 111.85 -175.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.08 144.88 23.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.15 -0.932 . . . . 71.23 109.054 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.849 HD23 ' HZ ' ' A' ' 2' ' ' PHE . 1.2 mm? -80.36 140.54 36.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 60.0 110.884 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -85.24 -10.14 56.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.944 0.402 . . . . 73.23 110.185 175.205 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -94.96 91.51 6.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 72.13 110.219 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -125.85 152.37 45.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.344 -0.389 . . . . 74.14 110.601 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -127.93 119.54 25.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.443 -0.344 . . . . 74.22 111.522 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 70.53 -2.06 2.33 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.252 -0.886 . . . . 74.35 111.997 173.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -150.51 105.82 3.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.997 -0.742 . . . . 70.15 108.997 175.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.336 -0.84 . . . . 74.44 109.882 -176.244 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 121.06 0.457 . . . . 75.2 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -111.79 111.3 22.16 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.74 -0.837 . . . . 74.55 108.74 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.684 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 6.1 m -96.2 159.3 15.03 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.791 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.997 HD23 HG11 ' A' ' 72' ' ' VAL . 2.3 tm? -61.11 -39.46 90.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.771 -0.826 . . . . 71.15 108.771 174.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 37.9 ttp180 -44.8 -26.74 0.43 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.3 -1.318 . . . . 55.24 112.25 171.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -100.09 -0.55 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.475 -0.33 . . . . 73.13 111.762 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.38 150.93 39.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 74.24 110.709 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -99.5 165.18 11.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 64.05 111.321 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.5 p -78.62 26.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.674 -0.694 . . . . 72.23 112.539 -173.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.34 19.55 0.93 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.934 -0.651 . . . . 44.53 111.672 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -115.45 143.06 45.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.702 0.287 . . . . 74.11 110.912 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -89.27 118.49 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.449 -0.574 . . . . 53.54 109.449 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.7 HG21 HD21 ' A' ' 4' ' ' LEU . 27.5 m -114.18 150.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.09 0.472 . . . . 54.11 110.631 -177.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 30.4 ttpt -128.89 119.33 24.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.898 -0.592 . . . . 73.02 109.63 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.4 t -73.53 128.76 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 62.11 109.734 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 71' ' ' GLU . 11.0 m -114.62 -40.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.39 -0.524 . . . . 74.23 112.14 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.669 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 17.5 ttpt -140.55 151.78 45.01 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.021 -0.272 . . . . 74.31 110.52 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 70' ' ' ILE . 94.4 mt -123.61 114.8 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 110.117 -0.327 . . . . 63.35 110.117 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -89.04 167.95 12.74 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.485 -0.561 . . . . 71.44 109.485 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.54 -177.82 18.92 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.465 -0.874 . . . . 53.44 112.668 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -89.07 31.04 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.467 0.651 . . . . 73.24 110.935 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA2' ' HD2' ' A' ' 25' ' ' LYS . . . 79.58 -59.67 4.39 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.804 -0.634 . . . . 74.4 113.519 175.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.4 -38.32 74.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 62.01 111.138 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 28' ' ' ILE . 2.0 tm? -75.6 -46.19 33.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.088 -0.506 . . . . 73.12 110.455 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -67.05 -30.4 70.45 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 74.02 111.586 -176.377 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -72.8 -38.29 67.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.362 . . . . 75.22 110.089 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -57.27 -36.73 71.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.867 -0.606 . . . . 71.01 110.328 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.633 HG22 ' HB ' ' A' ' 33' ' ' ILE . 64.2 mt -63.95 -49.13 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.694 -0.685 . . . . 64.13 110.629 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.749 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 70.9 mtm -67.9 -33.64 75.1 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 55.43 111.283 -178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.66 -23.94 66.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 73.43 111.017 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.561 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 68.7 mtm -87.52 -23.25 24.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 74.34 111.36 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.4 -29.56 2.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.962 -0.637 . . . . 61.03 112.188 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.885 ' HA ' HG21 ' A' ' 55' ' ' VAL . 4.5 mp -74.2 96.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.119 0.485 . . . . 52.12 110.133 -177.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.749 ' HA ' ' HG2' ' A' ' 29' ' ' MET . 13.7 p -112.08 174.32 5.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.937 -0.574 . . . . 60.13 111.266 -175.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -78.88 121.09 24.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.887 0.375 . . . . 72.15 110.023 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.43 7.95 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.072 -0.585 . . . . 61.31 112.005 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HA ' ' NH1' ' A' ' 56' ' ' ARG . 23.2 p -115.44 154.12 29.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.258 -0.275 . . . . 72.43 110.258 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -96.78 132.26 42.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.584 . . . . 53.22 109.728 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.632 HD11 HG23 ' A' ' 33' ' ' ILE . 63.3 mt -133.32 133.84 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.235 0.54 . . . . 73.13 110.508 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -102.27 122.13 43.61 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.93 -0.577 . . . . 70.3 109.576 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.417 HD11 HD21 ' A' ' 4' ' ' LEU . 43.4 mm -79.99 117.83 26.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.582 -0.525 . . . . 64.34 109.582 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -90.39 -47.79 7.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.439 -175.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -156.27 146.37 21.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 75.14 111.181 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.16 125.43 74.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.165 -0.68 . . . . 62.41 109.165 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.4 145.65 95.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.555 -0.293 . . . . 44.44 111.098 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.54 -28.86 88.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.026 2.484 . . . . 53.24 113.076 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.809 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.7 pt? -91.87 -1.16 57.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.132 0.491 . . . . 72.42 110.691 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.31 -71.74 0.32 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 121.048 -0.596 . . . . 71.22 111.798 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.721 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 4.0 p-10 -117.73 163.63 23.29 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.172 -0.307 . . . . 72.53 110.172 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.721 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 1.5 Cg_endo -83.98 145.69 49.56 Favored 'Cis proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.881 -1.3 . . . . 61.21 112.917 0.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -93.96 125.29 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.265 -0.643 . . . . 72.13 109.265 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -81.27 111.23 17.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.808 -0.442 . . . . 63.04 109.808 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.11 152.0 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.295 -0.411 . . . . 72.51 111.14 -176.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 43.4 t-20 -122.43 110.25 15.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.39 -0.596 . . . . 71.32 109.39 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.885 HG21 ' HA ' ' A' ' 33' ' ' ILE . 8.8 p -108.08 127.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.733 -0.667 . . . . 72.23 110.725 -175.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' HG2' HG22 ' A' ' 55' ' ' VAL . 28.1 mmt180 62.36 -84.86 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.288 -0.634 . . . . 72.43 109.288 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.94 34.56 1.02 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.457 -1.057 . . . . 75.35 110.457 172.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.418 ' HE2' HD21 ' A' ' 60' ' ' LEU . 2.9 t80 -131.52 129.22 40.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.831 -0.433 . . . . 73.51 109.831 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -105.71 119.27 38.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.396 0.617 . . . . 73.14 111.331 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.418 HD21 ' HE2' ' A' ' 58' ' ' TYR . 63.4 mt -132.25 171.42 13.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.356 -0.838 . . . . 73.11 110.859 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.8 m -98.64 126.73 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 70.45 109.788 171.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.4 tp -104.72 148.0 27.06 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.636 -0.505 . . . . 72.21 109.636 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -83.96 158.46 21.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.22 0.533 . . . . 71.24 111.168 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 85.8 tttt -62.7 -48.76 77.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.927 -1.033 . . . . 63.43 110.747 -178.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 69' ' ' MET . 12.0 p -65.6 -42.3 91.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 62.44 110.693 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -62.89 -41.75 99.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 43.43 110.58 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.4 68.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 73.34 111.958 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.684 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 14.1 pt-20 -98.06 -2.15 40.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.443 -0.503 . . . . 75.3 111.309 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 65' ' ' SER . 66.2 mtt -97.18 -9.55 27.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 52.41 110.155 174.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 66' ' ' ALA . 71.4 mt -91.23 121.84 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.138 -0.483 . . . . 65.4 111.075 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.669 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 3.7 tt0 -80.37 112.57 17.83 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.712 -0.847 . . . . 55.43 108.712 172.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.997 HG11 HD23 ' A' ' 4' ' ' LEU . 19.5 m -120.82 162.04 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.392 0.615 . . . . 73.42 112.062 -177.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.32 130.0 56.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.868 -1.06 . . . . 73.2 109.034 173.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -80.9 110.1 16.1 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.141 -1.059 . . . . 63.3 108.141 176.712 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -72.13 108.62 5.41 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.377 0.608 . . . . 73.14 109.755 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -75.06 158.81 32.56 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.207 -0.906 . . . . 73.04 110.699 -174.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -100.7 101.27 12.1 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.969 -1.122 . . . . 74.04 107.969 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -106.8 162.65 13.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.945 -0.571 . . . . 61.13 111.992 -168.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.73 127.83 34.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.513 -0.767 . . . . 64.25 109.719 174.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -70.63 162.62 28.62 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.438 0.461 . . . . 72.14 110.592 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.069 -0.715 . . . . 72.04 109.069 172.389 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 108.762 -0.829 . . . . 74.01 108.762 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.418 ' HB2' ' HG3' ' A' ' 5' ' ' ARG . 1.9 m -105.3 176.15 5.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.984 -0.553 . . . . 64.43 110.38 -175.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.571 HD13 HG11 ' A' ' 72' ' ' VAL . 44.6 tp -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 63.44 110.188 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 7.0 ppt_? -79.57 -6.43 57.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 74.52 111.336 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -88.69 -5.97 57.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 64.32 110.376 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.11 151.1 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 72.34 110.462 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -98.9 149.53 22.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 65.44 109.995 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.431 ' HB3' HG23 ' A' ' 44' ' ' VAL . 1.5 p -69.69 110.65 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.295 0.569 . . . . 72.52 110.358 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.02 -9.69 6.68 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.387 -0.824 . . . . 51.22 111.279 -173.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.697 ' HB3' HD21 ' A' ' 74' ' ' LEU . 97.2 mt-30 -101.01 165.71 11.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 54.04 110.824 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -118.05 121.02 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 72.31 110.449 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 39' ' ' ILE . 27.9 m -116.97 164.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.041 0.448 . . . . 64.12 110.668 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -133.49 137.49 45.68 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.85 -0.614 . . . . 65.41 110.038 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' A' ' 72' ' ' VAL . 44.1 t -77.09 131.06 35.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.992 -0.549 . . . . 74.25 110.737 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.544 HG23 ' HG2' ' A' ' 71' ' ' GLU . 4.6 m -115.62 -58.13 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.391 -0.368 . . . . 74.41 110.992 176.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 99.1 mttt -118.02 160.5 21.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 74.42 110.638 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -130.78 110.12 11.1 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.249 -0.648 . . . . 73.24 109.249 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.623 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 61.0 m-70 -86.83 163.65 17.1 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.003 -0.369 . . . . 64.53 110.003 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.51 178.0 15.45 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 72.45 112.59 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -81.27 31.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.212 0.449 . . . . 75.23 112.212 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.94 -61.36 4.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.896 -0.669 . . . . 74.52 112.636 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.37 -37.32 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 74.44 111.171 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 28' ' ' ILE . 59.4 tp -62.74 -43.51 98.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 63.32 110.085 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.2 -42.04 94.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.994 -0.548 . . . . 74.22 110.206 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -61.21 -42.57 98.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.556 -0.747 . . . . 75.34 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.11 -45.65 87.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 61.44 110.278 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.536 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 88.5 mt -58.56 -50.21 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 64.14 111.217 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 71.2 mtm -67.76 -30.62 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.665 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.75 -35.14 78.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 72.31 110.818 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.536 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 66.5 mtm -74.12 -17.68 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.943 -0.571 . . . . 53.13 111.353 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.21 -20.33 7.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.781 . . . . 64.11 112.321 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' A' ' 28' ' ' ILE . 21.9 mm -69.87 102.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.344 -0.613 . . . . 72.1 109.344 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 p -126.75 156.31 41.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.25 -0.432 . . . . 72.21 112.136 -170.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.4 106.4 2.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 73.33 110.397 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.27 -26.22 5.84 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.032 -0.604 . . . . 74.03 112.51 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 p -71.71 144.37 49.33 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.991 0.396 . . . . 71.03 110.283 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.33 141.33 28.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 71.51 109.919 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 55' ' ' VAL . 54.2 mt -124.46 116.27 47.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 54.01 110.262 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -91.05 108.75 20.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.777 -0.823 . . . . 73.12 108.777 174.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.421 ' HA ' HG22 ' A' ' 53' ' ' ILE . 13.5 mm -68.53 113.51 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.591 -0.522 . . . . 64.4 109.591 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -88.99 -56.42 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.178 -0.465 . . . . 63.43 111.113 -171.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . 58.1 tptt -147.92 123.64 10.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.791 0.329 . . . . 73.11 111.041 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 9' ' ' CYS . 58.5 t -108.97 121.19 61.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.518 -0.549 . . . . 75.45 109.518 175.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.27 145.55 98.63 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 73.05 110.728 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.013 2.475 . . . . 72.53 112.685 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.2 -10.96 59.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.283 0.563 . . . . 72.32 110.137 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.33 -19.25 55.11 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.492 -0.776 . . . . 74.31 111.393 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' HD2' ' A' ' 63' ' ' ARG . 31.7 t70 -144.63 141.74 18.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.424 -0.388 . . . . 62.34 110.119 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -90.96 171.32 24.89 Favored 'Cis proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.508 -1.455 . . . . 62.31 112.718 -2.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG22 HG23 ' A' ' 53' ' ' ILE . 65.2 mt -107.7 117.39 53.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 72.54 110.568 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 43' ' ' LYS . 2.2 mp0 -84.34 121.49 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 71.34 109.962 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 HG22 ' A' ' 51' ' ' ILE . 24.4 pt -135.72 151.31 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.011 -0.54 . . . . 73.23 110.632 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 44.7 t-20 -110.53 112.1 23.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.374 -0.602 . . . . 73.05 109.374 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 56' ' ' ARG . 43.1 t -129.98 130.99 66.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 75.43 110.223 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.773 ' HG2' HG12 ' A' ' 55' ' ' VAL . 28.3 mmt180 62.73 15.68 8.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.079 -0.509 . . . . 63.41 111.501 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.92 -7.01 60.48 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.934 -0.651 . . . . 73.14 112.202 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -101.14 128.39 47.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.675 -0.491 . . . . 75.35 109.675 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 32.4 tt0 -103.49 114.67 29.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.523 0.678 . . . . 72.32 109.304 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 pp -139.98 174.89 10.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.194 -0.912 . . . . 74.52 111.344 -171.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.7 m -107.92 124.05 49.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.802 -0.635 . . . . 74.25 109.966 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.4 tp -106.37 134.55 49.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.39 -0.596 . . . . 74.34 109.39 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HD2' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -65.52 137.35 57.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.956 -0.565 . . . . 72.31 110.249 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.89 61.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 51.34 110.69 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -52.87 -46.16 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 62.15 110.661 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.09 -44.34 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 54.22 110.683 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.61 65.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.186 0.517 . . . . 75.31 111.63 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -79.24 -10.96 59.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.706 -0.679 . . . . 75.25 110.982 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.623 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -109.91 -19.25 13.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 71.11 110.901 -177.287 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.507 HG22 HG13 ' A' ' 72' ' ' VAL . 74.5 mt -75.84 134.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 71.51 110.965 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.544 ' HG2' HG23 ' A' ' 16' ' ' VAL . 3.2 tt0 -99.22 112.86 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 74.54 110.072 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG11 HD13 ' A' ' 4' ' ' LEU . 29.3 m -126.55 170.77 16.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.528 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.33 136.54 53.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.055 -0.52 . . . . 75.24 110.162 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 11' ' ' GLN . 1.2 tm? . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 108.298 -1.001 . . . . 73.34 108.298 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.8 t80 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.441 -0.577 . . . . 52.45 109.441 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 85.0 p -97.07 173.87 7.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.324 -0.398 . . . . 60.12 110.277 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.603 HD13 HG11 ' A' ' 72' ' ' VAL . 23.9 tp -65.33 -19.07 65.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.392 0.615 . . . . 52.04 110.018 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -74.36 -23.87 59.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.161 -0.927 . . . . 62.33 111.31 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.32 -12.41 58.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.55 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.22 148.53 29.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.97 0.414 . . . . 62.24 110.91 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB2' ' OE1' ' A' ' 11' ' ' GLN . 35.3 mmtp -101.54 170.8 7.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 72.22 110.852 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.64 103.68 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.784 -0.644 . . . . 72.41 111.442 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.64 -24.48 6.44 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.819 -0.628 . . . . 72.43 112.123 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 10.4 mp0 -71.48 124.62 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.745 0.307 . . . . 70.52 110.591 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -99.19 110.48 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.287 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.424 HG12 HD13 ' A' ' 74' ' ' LEU . 33.2 m -113.38 170.47 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.07 -0.514 . . . . 65.31 110.379 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 5.7 tmmm? -130.6 128.36 40.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.8 -0.445 . . . . 75.3 109.8 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.697 HG23 HD13 ' A' ' 39' ' ' ILE . 78.7 t -70.49 127.8 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 71.14 110.844 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.17 -35.7 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 64.33 112.142 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 35.5 ttpt -141.45 148.84 40.17 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.883 0.373 . . . . 64.33 110.132 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -120.14 117.65 28.47 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.952 -0.388 . . . . 72.21 109.952 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -73.43 -31.39 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.872 -0.603 . . . . 55.14 111.137 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.615 ' HA3' ' HB3' ' A' ' 24' ' ' LEU . . . -56.22 123.23 30.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.873 -0.68 . . . . 75.11 111.86 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -70.8 85.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.596 . . . . 54.23 111.783 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.676 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . 72.16 -75.32 0.79 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.085 -0.961 . . . . 50.4 114.113 172.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.14 79.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 70.15 110.935 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.615 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . 1.7 tm? -68.63 -41.21 79.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.956 -0.566 . . . . 62.13 110.211 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -70.41 -27.68 64.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 41.11 110.939 -176.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -77.46 -36.34 52.99 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.503 -0.554 . . . . 63.13 109.503 177.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -58.04 -45.28 87.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.719 -0.673 . . . . 74.02 110.689 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.464 HD13 HG12 ' A' ' 70' ' ' ILE . 52.6 mt -57.95 -40.68 77.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.213 0.53 . . . . 65.34 110.378 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.07 -30.34 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 71.21 110.898 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.89 -31.46 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 71.23 111.574 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -79.72 -12.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.971 -0.291 . . . . 72.53 111.033 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.61 4.65 28.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.484 -0.865 . . . . 72.51 112.895 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.2 mp -104.92 114.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.928 -0.397 . . . . 54.12 109.928 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -139.17 170.05 16.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.805 0.336 . . . . 65.24 110.281 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -63.13 131.42 48.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.013 -0.54 . . . . 65.32 111.102 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.4 -17.36 47.27 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.712 -0.676 . . . . 65.3 112.351 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.0 m -88.41 154.34 20.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.37 . . . . 73.4 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.49 128.14 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.564 . . . . 63.22 110.516 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.697 HD13 HG23 ' A' ' 15' ' ' VAL . 4.5 mp -125.06 122.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 64.32 109.856 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 30.3 p90 -114.89 135.91 53.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.535 -0.543 . . . . 74.02 109.535 172.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 mm -75.74 138.39 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.94 -0.573 . . . . 75.1 110.751 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -87.77 -53.29 4.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.943 -0.571 . . . . 61.32 109.907 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.05 139.34 22.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 72.2 110.689 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.46 111.73 36.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.023 -0.732 . . . . 54.02 109.023 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 143.57 91.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.53 -0.305 . . . . 52.32 110.563 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.66 -9.16 23.42 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.843 2.362 . . . . 74.24 112.972 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.1 mt -87.46 -10.89 50.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 71.44 109.896 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.43 -30.19 9.54 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.261 -0.736 . . . . 73.12 111.261 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.579 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 2.2 p-10 -151.47 161.33 29.97 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 109.044 -0.725 . . . . 72.14 109.044 175.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.579 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 78.1 Cg_endo -78.41 159.46 92.32 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.417 -1.493 . . . . 64.41 113.138 -0.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -102.97 113.89 41.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.419 -0.809 . . . . 73.22 109.626 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -87.82 119.49 28.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.514 -0.55 . . . . 73.12 109.514 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.522 HD11 ' HB2' ' A' ' 60' ' ' LEU . 2.8 pp -121.12 155.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.594 0.235 . . . . 74.5 110.931 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -116.84 108.89 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.872 -0.418 . . . . 72.2 109.872 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.841 HG12 ' HG2' ' A' ' 56' ' ' ARG . 26.4 t -141.93 140.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.378 -0.601 . . . . 62.5 109.378 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.841 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.2 mmm180 65.29 17.01 10.84 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.328 0.392 . . . . 73.34 110.731 177.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 -2.92 87.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.975 -0.631 . . . . 44.01 112.267 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.563 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 96.2 m-85 -98.89 142.84 29.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.754 -0.263 . . . . 74.13 110.955 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.08 109.98 21.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.843 -0.799 . . . . 74.13 108.843 167.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.522 ' HB2' HD11 ' A' ' 53' ' ' ILE . 90.7 mt -114.69 132.32 56.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.073 0.463 . . . . 64.33 111.539 -172.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -84.58 106.5 16.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.323 -0.853 . . . . 72.53 109.17 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -105.93 134.66 48.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.925 0.393 . . . . 75.15 110.059 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.475 ' HD3' ' H ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.093 -0.503 . . . . 65.04 109.832 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' CG ' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -56.87 -27.72 60.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 74.3 111.622 -178.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.461 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 5.6 m -58.55 -44.41 89.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 73.13 110.672 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.53 -37.78 59.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.618 176.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . -60.73 -30.83 70.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.057 -0.52 . . . . 50.41 111.539 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 41.5 mt-10 -64.36 -34.09 77.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.183 0.516 . . . . 75.44 110.788 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.4 mtt -87.23 0.6 55.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 74.14 111.186 -174.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.538 HG22 HG13 ' A' ' 72' ' ' VAL . 59.8 mt -98.58 109.69 24.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.919 0.39 . . . . 74.31 110.647 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.8 tp10 -83.7 112.1 19.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.914 -0.773 . . . . 71.35 108.914 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.603 HG11 HD13 ' A' ' 4' ' ' LEU . 29.8 m -119.69 161.14 19.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.186 0.517 . . . . 74.52 111.24 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -123.2 133.62 54.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.341 -0.845 . . . . 72.42 109.263 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.424 HD13 HG12 ' A' ' 13' ' ' VAL . 20.9 tp . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.461 -0.336 . . . . 51.33 110.395 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.527 ' HZ ' HD23 ' A' ' 74' ' ' LEU . 25.8 t80 . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 108.597 -0.89 . . . . 62.43 108.597 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 27.2 p -86.73 159.45 19.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.072 -0.513 . . . . 72.34 111.197 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.597 ' CD1' HG21 ' A' ' 13' ' ' VAL . 52.5 tp -63.61 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.725 -0.67 . . . . 74.01 110.62 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HG2' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -71.23 -33.38 69.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.709 -0.678 . . . . 74.31 110.073 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.97 -30.82 70.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.124 -0.489 . . . . 74.34 111.464 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 159.57 30.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.783 0.325 . . . . 61.25 110.802 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -108.24 -178.67 3.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.77 0.319 . . . . 73.33 110.615 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.4 m -68.77 144.43 54.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 53.14 110.956 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . 87.52 2.11 82.68 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.961 -0.637 . . . . 62.54 113.081 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.26 149.69 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.175 0.512 . . . . 74.32 110.988 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.4 m -103.93 114.65 29.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.423 -0.808 . . . . 54.41 110.455 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.597 HG21 ' CD1' ' A' ' 4' ' ' LEU . 29.5 m -114.93 134.59 57.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 70.14 111.212 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -94.87 134.66 37.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.165 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.722 HG21 HG23 ' A' ' 33' ' ' ILE . 24.3 t -77.77 114.59 18.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 75.02 110.53 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 m -115.01 -47.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.283 0.475 . . . . 65.12 112.283 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.849 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 94.9 mttt -133.01 151.75 52.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 74.24 111.198 -176.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -127.37 107.83 10.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.614 -0.721 . . . . 72.03 109.649 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -87.2 -3.84 59.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 73.4 111.022 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.14 166.36 52.57 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.919 -0.582 . . . . 70.22 112.982 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.5 p -76.54 176.24 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.226 0.21 . . . . 55.0 110.829 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.33 94.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.226 -0.511 . . . . 74.53 113.372 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 72.34 111.093 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 28' ' ' ILE . 4.6 mm? -64.51 -49.2 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 53.02 110.452 178.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' THR . 14.0 ttmt -53.99 -49.84 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 73.43 111.109 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -56.41 -47.34 79.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 72.22 111.357 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 31' ' ' MET . 59.6 ttt180 -66.65 -41.53 88.07 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 41.2 110.371 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.486 HG22 ' HB ' ' A' ' 33' ' ' ILE . 73.3 mt -61.98 -41.59 91.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.512 0.672 . . . . 71.41 110.291 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.1 mtm -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 73.11 111.104 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.18 -29.29 70.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.487 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 34.2 mtt -72.65 -14.65 61.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 71.01 110.805 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.17 3.0 38.83 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.423 -0.671 . . . . 53.24 111.423 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.722 HG23 HG21 ' A' ' 15' ' ' VAL . 57.3 mt -94.16 91.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.376 -0.602 . . . . 71.13 109.376 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -121.66 -57.46 1.81 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 73.13 112.278 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -175.35 137.74 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.253 -0.885 . . . . 73.51 110.1 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.55 -28.79 2.68 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.025 -0.607 . . . . 60.2 113.398 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 74.42 110.466 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 130.18 53.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.743 -0.662 . . . . 73.04 109.853 175.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.456 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 66.5 mt -109.03 123.81 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 115.353 -0.839 . . . . 71.13 110.493 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 71.0 t80 -86.99 108.8 19.0 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.231 -0.895 . . . . 74.35 109.819 172.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.48 110.61 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.201 -0.666 . . . . 64.0 109.201 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -51.74 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.01 110.572 -172.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -159.01 123.01 3.91 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.403 -0.519 . . . . 70.21 111.336 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.814 HG13 HG12 ' A' ' 51' ' ' ILE . 42.4 t -97.31 130.06 46.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.886 -0.597 . . . . 75.51 109.491 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.74 144.19 90.59 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.463 -0.335 . . . . 55.21 110.291 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.91 -19.85 69.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.675 2.25 . . . . 74.43 112.043 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.01 -25.1 62.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.361 0.6 . . . . 74.22 110.039 175.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . 95.13 -15.07 64.13 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.246 -0.888 . . . . 53.35 111.693 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.512 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 26.3 t70 -144.61 125.55 7.68 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.527 -0.336 . . . . 64.51 110.149 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 89.6 Cg_endo -94.61 -174.7 5.19 Favored 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.398 -1.501 . . . . 72.32 112.643 -4.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.814 HG12 HG13 ' A' ' 44' ' ' VAL . 64.4 mt -112.23 135.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.696 -0.684 . . . . 72.11 110.013 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -96.87 113.94 25.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 75.5 110.226 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.456 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 27.9 pt -119.77 136.92 55.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.462 -0.336 . . . . 63.44 110.296 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -93.72 109.33 21.0 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.481 -0.488 . . . . 72.0 110.62 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.929 HG12 ' HG2' ' A' ' 56' ' ' ARG . 62.5 t -131.85 137.8 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.468 -0.787 . . . . 63.01 108.992 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.929 ' HG2' HG12 ' A' ' 55' ' ' VAL . 10.0 mmt180 63.96 21.08 12.49 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.364 0.415 . . . . 65.52 110.689 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.27 17.15 72.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.985 -0.626 . . . . 44.45 112.477 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -137.04 137.95 39.92 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.866 -0.42 . . . . 75.3 109.866 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 1.2 pm0 -84.77 110.6 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.504 0.669 . . . . 75.24 110.419 176.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 31' ' ' MET . 55.8 mt -95.14 137.03 34.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.082 -0.963 . . . . 72.14 110.052 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.6 m -85.69 105.65 16.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.025 0.44 . . . . 64.21 110.46 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 4' ' ' LEU . 30.5 tp -106.49 125.59 51.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.0 -0.546 . . . . 64.01 109.528 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -72.44 156.27 39.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.281 -0.418 . . . . 62.22 111.239 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -60.41 -25.89 66.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.954 -0.566 . . . . 75.33 111.577 -177.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.483 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 13.0 m -59.55 -48.83 80.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 72.21 110.394 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.45 -38.45 55.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.903 -0.589 . . . . 72.45 110.818 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.23 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 35.14 111.691 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.451 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 5.0 mm-40 -85.41 3.57 39.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.457 -0.338 . . . . 70.11 111.239 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.5 tpp -113.96 -16.99 12.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.168 0.509 . . . . 74.42 111.045 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 3' ' ' SER . 70.5 mt -87.32 134.93 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 71.2 110.994 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.849 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 7.7 tp10 -98.09 115.38 28.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.981 -0.748 . . . . 73.23 108.981 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.501 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 20.5 m -122.71 178.55 3.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.048 0.451 . . . . 73.34 111.074 -177.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -136.79 130.71 32.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.619 -0.718 . . . . 74.34 109.928 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 108.052 -1.092 . . . . 75.31 108.052 173.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.27 0.557 . . . . 73.41 109.605 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -92.58 156.91 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.621 -0.718 . . . . 74.45 110.26 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.638 HD13 HG21 ' A' ' 13' ' ' VAL . 38.6 tp -61.97 -29.55 70.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.134 0.492 . . . . 72.24 110.317 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HD3' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -62.77 -29.28 70.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 73.05 110.494 175.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -91.33 -3.31 56.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.731 -0.668 . . . . 75.13 110.562 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 160.28 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 32.42 110.556 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HB2' ' NE2' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -114.18 154.15 28.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.335 -0.393 . . . . 74.24 110.39 -178.037 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 p -64.44 153.41 38.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.577 . . . . 72.24 111.34 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.53 -4.73 82.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.041 -0.599 . . . . 64.31 112.671 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.518 ' NE2' ' HB2' ' A' ' 8' ' ' LYS . 48.2 mt-30 -114.6 165.44 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.874 0.368 . . . . 65.32 110.922 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.886 -0.597 . . . . 70.01 110.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.638 HG21 HD13 ' A' ' 4' ' ' LEU . 35.0 m -124.49 158.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.799 0.333 . . . . 62.25 111.097 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -112.17 122.6 48.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.949 -0.569 . . . . 74.04 109.546 174.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.871 HG21 HG23 ' A' ' 33' ' ' ILE . 43.3 t -72.34 121.92 23.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.773 -0.194 . . . . 62.44 110.668 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG23 ' HG2' ' A' ' 71' ' ' GLU . 4.1 m -113.07 -40.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 112.262 0.467 . . . . 64.2 112.262 -178.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 30.4 mtmt -134.17 127.0 31.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.287 0.565 . . . . 71.45 112.004 -178.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.43 103.77 15.15 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.515 -0.766 . . . . 52.21 109.116 175.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -76.61 -5.28 47.09 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.716 0.293 . . . . 73.5 110.721 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -65.62 123.51 25.0 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.947 -0.644 . . . . 71.31 111.535 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 p -77.39 88.85 3.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.499 0.555 . . . . 73.23 112.499 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' CA ' ' HG2' ' A' ' 25' ' ' LYS . . . 67.85 -84.18 0.16 Allowed Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.489 -0.778 . . . . 41.31 114.037 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.251 0.548 . . . . 72.3 110.527 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.98 -46.84 67.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.431 -0.804 . . . . 71.24 110.758 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 20' ' ' GLY . 18.9 ptmt -67.73 -33.0 74.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.49 -0.323 . . . . 62.45 110.853 -174.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.497 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 79.9 ttt180 -67.94 -45.19 74.98 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.555 -0.458 . . . . 74.34 110.633 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.42 -44.32 84.53 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 74.2 110.363 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.663 HG22 ' HB ' ' A' ' 33' ' ' ILE . 85.0 mt -61.69 -49.61 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.574 -0.739 . . . . 72.44 111.193 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.654 ' HB2' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -74.72 -30.0 61.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 73.25 111.66 -176.185 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.74 -33.61 73.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.036 0.446 . . . . 72.44 110.822 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.444 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 70.2 mtm -74.32 -22.75 59.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 74.14 111.194 176.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.86 -10.2 3.66 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.425 -0.893 . . . . 60.11 113.122 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.871 HG23 HG21 ' A' ' 15' ' ' VAL . 53.8 mt -86.51 77.58 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.274 0.559 . . . . 74.12 110.205 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 29' ' ' MET . 17.6 p -102.66 22.89 12.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.523 0.935 . . . . 74.24 113.523 -169.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 34' ' ' THR . 52.6 ttp180 68.32 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.227 0.537 . . . . 74.05 110.351 -176.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.1 -12.63 68.55 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.818 -0.913 . . . . 55.31 110.818 -172.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -79.18 147.48 32.63 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.454 -0.573 . . . . 74.34 109.454 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.05 140.41 36.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.002 0.43 . . . . 74.03 110.112 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.684 HG12 HG22 ' A' ' 55' ' ' VAL . 51.2 mt -127.43 122.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.53 . . . . 62.23 110.627 -176.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.514 ' HD1' ' HD2' ' A' ' 42' ' ' ARG . 51.8 t80 -94.45 115.96 28.23 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.995 -0.742 . . . . 72.02 108.995 173.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.601 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.1 mp -74.77 115.85 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.687 -0.486 . . . . 74.2 109.687 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.732 ' HD3' ' HB2' ' A' ' 54' ' ' ASN . 29.4 mmm180 -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 74.1 111.102 -173.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 1.9 tmtp? -156.01 133.05 10.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.17 -174.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.458 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 43.8 t -102.84 110.87 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.54 -0.541 . . . . 73.15 109.54 175.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -57.08 145.9 63.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 61.41 111.311 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 50.7 Cg_exo -54.12 -38.25 87.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.209 2.606 . . . . 75.44 113.123 -177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' HD13 ' A' ' 47' ' ' LEU . 3.1 tm? -74.58 -27.34 60.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.163 0.506 . . . . 71.01 110.037 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.81 -7.31 41.7 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.765 -0.731 . . . . 75.41 111.499 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 13.9 t70 -139.99 125.97 11.88 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.966 -0.383 . . . . 72.31 109.966 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.536 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 83.5 Cg_endo -95.87 177.48 9.59 Favored 'Cis proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.713 -1.37 . . . . 54.35 112.338 -4.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 51' ' ' ILE . 4.2 mp -99.59 127.1 52.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 74.12 109.516 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.24 120.88 28.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.609 -0.515 . . . . 65.04 109.609 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 62' ' ' LEU . 41.2 pt -132.34 153.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.564 -0.289 . . . . 73.21 110.819 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.732 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 46.5 t-20 -107.0 111.18 23.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.651 -0.5 . . . . 74.43 109.651 176.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.684 HG22 HG12 ' A' ' 39' ' ' ILE . 94.5 t -127.24 124.84 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 63.44 109.782 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.648 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmm180 65.89 18.59 11.14 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.447 0.467 . . . . 74.35 111.278 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.81 -6.02 76.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.991 -0.623 . . . . 54.22 111.928 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.48 130.78 44.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.675 0.274 . . . . 73.33 110.566 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -75.22 110.71 9.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.742 -0.836 . . . . 64.44 108.742 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -114.87 161.22 18.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.044 0.45 . . . . 73.42 110.874 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -127.52 114.33 17.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.786 -0.643 . . . . 70.52 110.307 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 53' ' ' ILE . 3.6 mm? -106.18 137.15 44.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.31 -0.405 . . . . 63.4 110.309 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 63' ' ' ARG . 2.2 mpt_? -68.66 155.98 39.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.312 -0.403 . . . . 74.12 111.001 -178.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' HG3' ' HD3' ' A' ' 5' ' ' ARG . 80.5 tttt -56.88 -46.71 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.449 -0.796 . . . . 75.44 110.959 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 m -63.65 -33.57 75.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.661 -0.699 . . . . 51.22 111.328 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.95 -43.29 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 70.13 111.012 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.75 -23.39 65.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.252 -0.431 . . . . 70.23 111.813 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -84.58 -6.6 59.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 72.43 110.714 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 91.4 mtp -102.84 0.6 32.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 71.45 110.185 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.508 HG22 HG13 ' A' ' 72' ' ' VAL . 68.9 mt -99.69 114.21 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.747 -0.661 . . . . 74.44 110.214 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.6 tt0 -91.78 120.53 32.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.687 -0.688 . . . . 74.23 109.581 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.643 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -131.38 160.8 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.252 0.548 . . . . 71.42 111.868 -174.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.24 132.73 46.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.116 -0.947 . . . . 71.41 109.323 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD22 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 108.217 -1.031 . . . . 75.13 108.217 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.634 -0.506 . . . . 61.21 109.634 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 5.6 m -85.78 154.71 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.307 -0.406 . . . . 61.42 111.026 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.637 HD13 HG11 ' A' ' 72' ' ' VAL . 56.7 tp -61.34 -29.8 70.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 73.12 111.482 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -68.88 -6.39 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.602 0.593 . . . . 73.41 112.602 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -90.15 -11.78 40.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.124 0.488 . . . . 73.25 110.797 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 157.54 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.005 -0.543 . . . . 64.23 110.113 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HB2' HE21 ' A' ' 11' ' ' GLN . 1.5 mptm? -115.79 176.34 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.896 0.379 . . . . 62.22 111.101 -176.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.6 p -66.28 140.17 58.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 73.44 112.214 -175.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 9.33 84.55 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.526 -0.761 . . . . 61.42 112.823 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.455 HE21 ' HB2' ' A' ' 8' ' ' LYS . 48.7 mt-30 -109.56 146.15 35.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.612 0.244 . . . . 72.13 110.369 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -102.45 121.67 42.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.222 -0.445 . . . . 73.4 110.607 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 HD13 ' A' ' 74' ' ' LEU . 35.7 m -119.35 151.27 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.375 -0.375 . . . . 73.22 110.523 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.992 0.425 . . . . 73.41 110.849 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG21 HG23 ' A' ' 33' ' ' ILE . 60.4 t -81.03 114.68 22.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.283 -0.871 . . . . 44.02 109.614 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -107.39 -39.9 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.674 -0.41 . . . . 73.5 112.062 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 2.8 tppp? -137.01 133.23 35.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 53.51 110.79 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.554 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 87.8 mt -108.45 118.6 37.19 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.254 -0.43 . . . . 71.52 109.849 176.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.822 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 62.7 m-70 -99.73 175.77 5.69 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 71.2 108.932 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.584 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 119.43 157.19 10.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 74.33 111.813 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -85.34 79.56 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.009 0.404 . . . . 65.3 111.736 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.44 -75.7 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 CA-C-N 115.65 -0.705 . . . . 44.15 114.85 171.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.42 84.92 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.654 0.382 . . . . 70.23 111.512 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 28' ' ' ILE . 55.2 tp -58.07 -45.82 86.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.168 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.584 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -57.81 -45.61 85.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 75.42 111.312 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -62.0 -43.65 98.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.014 0.435 . . . . 73.14 110.249 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.64 -40.23 96.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 74.43 110.614 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.571 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 92.6 mt -66.73 -49.58 73.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 74.45 110.841 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 73.7 mtm -66.39 -33.52 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 71.44 111.274 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.5 -36.65 78.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 74.42 111.474 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.571 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.7 mtm -72.82 -24.46 60.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.978 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.53 -20.26 4.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.78 . . . . 60.41 112.286 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.678 HG23 HG21 ' A' ' 15' ' ' VAL . 55.8 mt -67.25 110.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 71.23 110.449 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -134.82 165.29 25.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 72.0 111.308 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -67.97 114.15 6.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.463 . . . . 64.22 110.776 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.07 -1.73 44.23 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.758 -0.655 . . . . 71.1 113.015 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.4 p -86.15 140.43 30.2 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.38 0.59 . . . . 63.12 109.755 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -101.43 124.51 47.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.358 0.599 . . . . 71.24 110.122 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 55' ' ' VAL . 58.4 mt -121.48 124.66 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.21 -0.904 . . . . 71.44 109.624 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 23.9 p90 -96.69 131.0 43.82 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.752 -0.833 . . . . 73.42 108.752 171.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.3 mt -79.99 126.33 39.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.231 -0.441 . . . . 73.41 109.952 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -76.01 -51.47 12.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 65.51 109.747 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 70.3 mttt -154.45 135.96 14.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 44.51 111.457 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 51' ' ' ILE . 50.5 t -111.75 117.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.114 -0.699 . . . . 51.35 109.114 172.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.69 143.61 92.74 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.098 -0.334 . . . . 64.23 110.098 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.9 Cg_exo -63.51 -11.52 26.42 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.169 2.579 . . . . 60.35 112.409 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -81.42 -10.41 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.665 -0.698 . . . . 65.45 110.22 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 -12.74 68.7 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.342 -0.703 . . . . 54.22 111.342 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.79 150.19 15.35 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.435 -0.58 . . . . 70.51 109.435 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -83.88 157.56 70.85 Favored 'Cis proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 -1.653 . . . . 71.12 112.216 -4.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.438 HG23 HG22 ' A' ' 44' ' ' VAL . 64.5 mt -102.48 118.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.844 -0.616 . . . . 52.53 109.53 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -91.0 113.82 26.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.836 -0.62 . . . . 73.12 109.848 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.43 HG13 ' HB2' ' A' ' 60' ' ' LEU . 35.3 pt -120.59 161.87 19.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.545 0.212 . . . . 71.12 110.669 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -126.6 114.88 18.66 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.924 0.392 . . . . 54.1 110.314 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 39' ' ' ILE . 18.7 t -126.04 140.93 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 72.24 109.341 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HG2' HG12 ' A' ' 55' ' ' VAL . 31.2 mmt180 66.77 -73.81 0.07 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.912 0.757 . . . . 63.22 110.006 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.96 23.0 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.112 -1.195 . . . . 40.01 110.112 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -127.34 142.91 51.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 73.0 109.598 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -89.23 110.83 21.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 75.44 110.095 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HB2' HG13 ' A' ' 53' ' ' ILE . 87.2 mt -99.47 129.77 45.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.11 -0.495 . . . . 73.5 110.792 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -93.26 106.47 18.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 74.04 109.803 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 66' ' ' ALA . 30.7 tp -108.77 149.84 28.47 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.518 -0.549 . . . . 73.32 109.518 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.74 167.89 9.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.481 -0.488 . . . . 75.01 110.958 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -58.25 -29.57 65.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.415 -0.812 . . . . 72.23 111.755 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -53.59 -52.81 58.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 42.14 111.199 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -76.33 -38.79 55.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 61.12 111.204 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.62 66.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.517 -0.311 . . . . 74.52 111.772 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -82.97 -10.84 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.305 -0.407 . . . . 75.34 111.539 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.822 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 1.1 tpt -118.35 -2.0 11.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.947 0.403 . . . . 65.03 111.213 -174.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 66' ' ' ALA . 73.4 mt -92.84 128.43 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.385 -0.37 . . . . 73.11 110.41 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.2 tp10 -93.48 116.45 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.72 -0.673 . . . . 34.13 109.681 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.637 HG11 HD13 ' A' ' 4' ' ' LEU . 30.8 m -131.13 165.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.949 0.404 . . . . 71.33 112.041 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -133.55 150.73 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.601 -0.727 . . . . 74.25 109.463 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 HG12 ' A' ' 13' ' ' VAL . 4.5 mm? . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 71.15 111.317 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 108.822 -0.807 . . . . 72.25 108.822 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 99.2 p -84.63 166.21 17.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.394 -0.367 . . . . 63.12 110.315 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 39' ' ' ILE . 17.2 tp -69.44 -16.27 63.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.414 0.626 . . . . 63.13 109.513 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -39.33 68.79 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.265 -0.879 . . . . 71.23 108.988 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.64 -22.1 64.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.821 -0.627 . . . . 74.43 111.146 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 155.73 36.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 70.23 110.86 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -111.32 160.36 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.2 -0.454 . . . . 61.55 110.054 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 p -73.91 140.8 45.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.934 0.397 . . . . 62.45 110.496 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.38 1.96 71.18 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.396 -0.682 . . . . 41.42 111.396 -177.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -104.56 152.02 22.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.369 . . . . 65.43 110.53 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.3 m -111.44 129.77 55.92 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.984 -0.746 . . . . 44.43 108.984 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.01 172.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.596 0.236 . . . . 63.02 110.565 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -130.3 131.69 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.346 -0.388 . . . . 55.44 110.702 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' HA ' HG12 ' A' ' 72' ' ' VAL . 61.8 t -74.6 115.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.087 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -107.84 -38.86 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.275 -0.42 . . . . 72.21 111.602 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.654 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 56.6 mtpt -133.31 156.68 47.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.068 0.461 . . . . 72.54 110.308 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.18 116.26 19.65 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.987 -0.551 . . . . 70.41 109.835 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -86.83 154.48 20.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.176 -0.465 . . . . 55.23 109.747 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 175.81 14.2 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.784 -0.722 . . . . 73.13 111.741 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.5 p -79.12 -63.57 1.39 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.699 0.285 . . . . 74.21 111.503 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.81 -57.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.597 -0.811 . . . . 24.01 112.683 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.647 0.26 . . . . 52.05 111.11 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.44 -41.22 76.09 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.038 -0.528 . . . . 72.24 110.443 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -66.26 -49.26 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.176 -0.466 . . . . 62.32 111.168 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -63.08 -32.43 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.839 -0.43 . . . . 65.34 109.839 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.36 -42.15 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 75.44 110.464 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.732 HG22 ' HB ' ' A' ' 33' ' ' ILE . 60.6 mt -70.77 -41.55 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 74.01 110.548 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.501 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 87.6 mtp -63.42 -31.54 72.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 63.34 111.11 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.35 -32.6 68.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.818 -0.628 . . . . 75.32 111.324 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.567 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 62.8 mtm -84.52 -0.06 51.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.756 -0.656 . . . . 72.3 111.067 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.3 -3.31 50.85 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.945 -0.645 . . . . 42.31 112.563 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.732 ' HB ' HG22 ' A' ' 28' ' ' ILE . 40.3 mt -88.3 106.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 53.24 110.477 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -147.45 178.83 8.12 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 74.13 109.622 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.2 130.16 44.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 73.55 110.451 -177.614 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.63 -4.98 69.7 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.972 -0.632 . . . . 70.13 112.498 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.09 140.13 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 74.23 110.335 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -92.55 126.4 37.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.474 -0.784 . . . . 74.44 109.558 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.521 HG21 HD21 ' A' ' 4' ' ' LEU . 35.8 mm -112.02 117.42 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.99 -0.55 . . . . 44.44 110.267 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -95.23 105.82 17.79 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.937 -0.574 . . . . 65.5 109.896 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.1 mp -75.84 107.77 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.836 -0.801 . . . . 74.02 108.836 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -86.38 -40.87 14.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.37 -0.377 . . . . 73.44 110.642 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 4.6 tmtt? -156.84 137.83 13.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.772 0.32 . . . . 73.33 110.64 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 46.3 t -114.11 130.28 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.047 -0.723 . . . . 73.41 109.047 173.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.3 143.26 98.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.735 -0.386 . . . . 71.33 110.341 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.26 -29.63 88.34 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.974 2.449 . . . . 74.24 112.456 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.8 tp -85.86 -4.81 59.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.848 -0.615 . . . . 70.44 110.661 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.73 -24.68 31.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.989 -0.624 . . . . 65.14 112.509 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.554 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 8.5 t70 -134.59 133.71 21.64 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.959 -0.385 . . . . 75.14 109.959 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 93.6 Cg_endo -94.4 -172.79 4.16 Favored 'Cis proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.699 -1.376 . . . . 72.41 112.784 -2.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.401 HG22 HG23 ' A' ' 53' ' ' ILE . 4.7 mp -116.08 128.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.001 -0.545 . . . . 63.31 110.007 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -94.45 110.2 22.01 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.172 0.511 . . . . 75.5 110.703 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 51' ' ' ILE . 27.1 pt -120.97 144.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.732 -0.667 . . . . 73.22 110.215 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -104.36 113.04 26.33 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.959 -0.386 . . . . 73.33 109.959 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.604 HG12 ' HG3' ' A' ' 56' ' ' ARG . 60.6 t -124.09 119.16 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 73.15 110.368 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG3' HG12 ' A' ' 55' ' ' VAL . 71.1 mtt180 62.0 27.33 16.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.476 0.485 . . . . 53.35 111.065 176.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.38 -16.72 59.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.08 -0.581 . . . . 61.05 112.32 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 129.98 37.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.665 0.269 . . . . 75.44 110.297 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -96.31 117.31 30.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.332 0.587 . . . . 62.31 109.708 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 mt -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.045 -0.98 . . . . 75.02 111.108 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m -112.72 108.69 17.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.514 -0.55 . . . . 54.44 109.514 173.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.474 HD11 ' HE3' ' A' ' 31' ' ' MET . 12.4 mt -105.36 153.23 21.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 72.33 111.564 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 146.95 54.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.198 -0.91 . . . . 73.41 110.345 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -54.56 -42.12 70.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.619 . . . . 72.43 110.181 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.594 ' HA ' ' OE2' ' A' ' 68' ' ' GLU . 35.9 m -61.56 -32.9 73.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 64.03 111.856 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.48 -35.57 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 71.04 110.738 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -22.07 63.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.21 111.027 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.594 ' OE2' ' HA ' ' A' ' 65' ' ' SER . 44.0 mt-10 -67.46 -31.52 71.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.18 0.514 . . . . 73.5 110.903 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.8 mmt -82.6 -20.39 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 73.42 111.246 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.569 HG22 HG13 ' A' ' 72' ' ' VAL . 53.5 mt -82.09 109.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.807 0.337 . . . . 73.43 110.608 -178.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 8.0 tp10 -89.13 112.94 24.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.347 -0.612 . . . . 71.42 109.347 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG13 HG22 ' A' ' 70' ' ' ILE . 25.9 m -122.42 163.0 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.215 0.531 . . . . 73.43 111.465 -175.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.41 144.84 38.58 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.901 -0.778 . . . . 74.34 108.901 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 108.009 -1.108 . . . . 72.11 108.009 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 72' ' ' VAL . 35.8 t80 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 108.31 -0.996 . . . . 74.23 108.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.501 ' HB3' ' HB2' ' A' ' 6' ' ' ASP . 43.9 t -77.88 150.67 34.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.9 -0.591 . . . . 74.11 111.169 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 72' ' ' VAL . 41.4 tp -66.87 -26.89 67.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.276 0.56 . . . . 72.14 109.719 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.592 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 2.5 tmm_? -83.26 -12.26 56.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.624 -0.716 . . . . 61.51 109.735 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 24.2 t70 -92.17 -20.17 21.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.772 . . . . 62.42 110.128 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.14 148.83 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.83 -0.623 . . . . 63.51 110.64 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -94.25 142.19 27.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.48 -0.327 . . . . 73.12 110.473 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.63 127.41 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 65.45 110.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.96 -10.98 29.53 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.953 -0.641 . . . . 41.34 111.74 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -106.3 157.45 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 63.12 110.895 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.8 m -109.88 129.16 55.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.908 -0.587 . . . . 64.52 110.323 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.595 HG12 HD22 ' A' ' 74' ' ' LEU . 34.7 m -120.66 179.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 73.12 110.173 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -131.46 136.12 47.68 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.132 -0.322 . . . . 62.34 110.132 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.652 ' HA ' HG12 ' A' ' 72' ' ' VAL . 93.8 t -73.77 117.51 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.408 -0.589 . . . . 63.43 109.408 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG23 ' HG2' ' A' ' 71' ' ' GLU . 14.0 m -111.04 -36.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.628 -0.429 . . . . 63.4 111.882 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.664 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 15.4 tppt? -140.73 134.89 30.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.018 0.437 . . . . 73.42 111.018 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.578 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 82.1 mt -105.84 107.37 18.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.262 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 69' ' ' MET . 35.1 m-70 -88.28 158.96 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.02 -0.363 . . . . 73.12 110.02 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.79 -167.25 24.06 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.505 -0.855 . . . . 70.12 112.707 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 p -85.72 1.87 47.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.102 0.477 . . . . 75.33 111.835 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.791 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 96.59 -47.32 1.73 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.658 -0.782 . . . . 74.31 111.84 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.29 93.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.094 0.473 . . . . 60.12 110.519 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.69 -41.97 98.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 74.21 110.122 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.791 ' HD3' ' HA2' ' A' ' 22' ' ' GLY . 52.7 mtpt -62.7 -46.73 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.633 -0.712 . . . . 72.34 110.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -58.01 -39.67 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.758 -0.656 . . . . 72.54 110.772 178.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -67.57 -43.09 81.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.36 -0.382 . . . . 72.44 110.768 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.561 HG22 ' HB ' ' A' ' 33' ' ' ILE . 73.7 mt -69.24 -38.78 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.678 0.275 . . . . 62.12 111.142 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.15 -29.26 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 75.24 110.551 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.74 -30.32 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.667 -0.697 . . . . 71.43 111.368 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.613 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.8 mpp? -81.17 -6.45 58.86 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.748 0.309 . . . . 70.31 111.452 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.77 2.13 46.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.539 -0.839 . . . . 74.32 112.195 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.561 ' HB ' HG22 ' A' ' 28' ' ' ILE . 46.4 mt -87.43 99.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.756 -0.461 . . . . 70.34 109.756 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -120.67 156.03 32.59 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.084 -0.507 . . . . 74.53 111.047 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HG2' ' H ' ' A' ' 35' ' ' ARG . 10.9 ptt85 -58.41 114.29 2.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 72.0 110.291 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.45 -31.71 4.12 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.383 -0.826 . . . . 75.41 112.396 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.62 149.29 42.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.805 0.336 . . . . 25.54 110.562 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -90.98 139.88 30.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.13 0.491 . . . . 73.24 110.293 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 4' ' ' LEU . 31.1 mm -114.82 114.41 46.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.506 -0.77 . . . . 71.45 109.894 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -83.2 113.55 20.74 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.398 -0.593 . . . . 74.12 109.398 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -75.24 99.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.208 -0.664 . . . . 72.51 109.208 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -46.44 21.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.627 -0.715 . . . . 62.42 110.917 -171.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -160.8 122.81 3.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.942 0.401 . . . . 74.31 111.673 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.9 t -104.74 112.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.614 -0.884 . . . . 63.42 108.614 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.27 143.7 84.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.477 -0.329 . . . . 71.13 111.07 -176.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.12 -10.26 27.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.805 2.337 . . . . 72.11 112.117 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.99 -18.62 36.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 54.54 109.756 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -11.72 57.11 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.632 -0.713 . . . . 51.22 112.11 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -155.64 137.62 9.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.234 -0.284 . . . . 72.03 110.234 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -91.73 -174.76 6.96 Favored 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.364 -1.515 . . . . 73.44 112.752 0.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG22 HG23 ' A' ' 53' ' ' ILE . 3.6 mp -110.86 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.106 -0.701 . . . . 74.13 109.106 175.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -90.22 113.88 25.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.316 -0.624 . . . . 65.32 109.316 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.538 HG23 HG22 ' A' ' 51' ' ' ILE . 26.9 pt -120.81 158.35 23.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.459 -0.337 . . . . 72.1 110.701 -177.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.78 110.68 20.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.905 -0.405 . . . . 64.11 109.905 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.854 HG12 ' HG2' ' A' ' 56' ' ' ARG . 49.0 t -122.98 131.43 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.856 -0.611 . . . . 62.32 109.887 -178.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.854 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.9 mmt180 63.29 16.18 9.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.343 -0.39 . . . . 74.35 110.679 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.82 -16.19 61.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.015 -0.612 . . . . 74.12 112.17 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -101.71 135.35 43.39 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.099 -0.334 . . . . 71.42 110.099 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -84.08 124.28 30.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.362 0.601 . . . . 73.42 110.765 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 31' ' ' MET . 67.4 mt -114.67 138.82 50.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.404 -0.816 . . . . 63.02 110.197 -176.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.1 m -94.55 106.23 18.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 74.54 109.962 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 tp -107.52 140.92 39.76 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.642 -0.503 . . . . 63.54 109.642 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -79.47 153.74 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 72.24 111.799 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 30.8 ttpt -45.5 -53.18 9.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.587 -1.188 . . . . 72.12 112.369 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 p -63.76 -41.31 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.844 0.312 . . . . 71.21 111.844 -176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.508 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -68.45 -43.58 76.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 70.01 110.822 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.25 84.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.267 0.556 . . . . 70.22 110.901 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.497 ' HA ' ' OG ' ' A' ' 3' ' ' SER . 28.8 tt0 -68.93 -26.09 64.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.544 -0.753 . . . . 74.2 111.182 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 10.0 tpt -83.25 -8.03 59.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.095 -0.502 . . . . 72.32 110.786 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.526 HD11 ' CD1' ' A' ' 28' ' ' ILE . 36.8 mm -91.55 129.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.076 0.465 . . . . 74.24 111.399 -176.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.664 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.4 tt0 -93.68 116.56 29.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.294 -0.866 . . . . 73.53 109.664 177.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 4' ' ' LEU . 28.0 m -124.57 171.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.254 -0.43 . . . . 72.13 110.662 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -123.52 131.13 53.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.077 -0.51 . . . . 74.45 109.707 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.595 HD22 HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 108.92 -0.77 . . . . 72.22 108.92 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 109.326 -0.62 . . . . 75.33 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 84.0 p -98.22 178.57 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.353 -0.385 . . . . 62.32 110.941 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.1 mt -70.84 -8.17 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.364 0.602 . . . . 61.34 110.211 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.734 ' HG3' ' HG2' ' A' ' 68' ' ' GLU . 24.2 mmm180 -85.33 -31.73 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.426 -0.807 . . . . 71.55 110.368 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -82.62 -28.81 30.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.893 -1.048 . . . . 71.21 109.946 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.71 155.24 40.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.488 -0.778 . . . . 73.13 111.238 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -107.26 153.77 22.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 73.4 109.739 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.636 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 9.9 p -58.79 140.83 54.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.678 0.275 . . . . 54.1 110.559 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.42 -22.66 35.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 62.13 112.593 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 53.6 mt-30 -69.89 133.06 46.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.937 0.399 . . . . 62.43 111.131 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -95.53 103.92 15.81 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.602 -0.726 . . . . 75.3 109.539 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 74' ' ' LEU . 22.6 m -113.64 174.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.423 -0.584 . . . . 63.31 109.423 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.661 0.267 . . . . 53.24 110.465 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.35 124.43 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.72 -0.673 . . . . 72.32 110.342 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -117.26 -40.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.22 0.452 . . . . 73.24 112.22 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 50.1 tttm -139.04 149.69 44.92 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.477 -0.489 . . . . 62.5 110.548 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.87 112.87 19.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.957 -0.565 . . . . 62.25 110.006 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -72.59 -9.15 58.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 72.15 111.763 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.72 149.93 48.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.766 -0.73 . . . . 72.32 111.612 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 p -57.44 -79.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.38 . . . . 73.52 111.88 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.91 -57.64 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.205 -0.758 . . . . 64.34 111.205 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.3 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.932 0.396 . . . . 71.21 110.441 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.48 -46.81 83.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.687 -0.688 . . . . 73.32 110.711 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -59.92 -53.61 55.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.094 -0.503 . . . . 71.41 110.764 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -58.48 -40.66 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.525 -0.761 . . . . 64.55 111.495 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 27' ' ' ARG . 17.2 tpt180 -60.52 -47.49 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.632 0.253 . . . . 72.22 111.023 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.789 HD13 HD11 ' A' ' 70' ' ' ILE . 68.5 mt -61.28 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 72.32 111.005 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 68.2 mtm -67.06 -30.81 70.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.997 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.91 -35.81 81.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.735 -0.666 . . . . 50.44 110.704 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 28' ' ' ILE . 67.0 mtm -76.92 -17.47 58.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.848 -0.615 . . . . 73.44 111.001 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.04 -8.76 6.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.6 -0.809 . . . . 53.31 113.356 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.692 HG12 HG21 ' A' ' 55' ' ' VAL . 51.1 mt -97.89 103.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.004 0.402 . . . . 63.43 111.173 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.407 ' HA ' ' HG2' ' A' ' 29' ' ' MET . 12.5 t -128.66 173.05 10.64 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.937 -0.394 . . . . 51.12 109.937 177.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.92 142.29 54.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.28 -0.418 . . . . 74.24 110.379 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.95 -21.45 46.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.933 -0.651 . . . . 74.13 111.923 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.2 m -78.72 148.89 32.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 73.32 110.865 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.27 135.69 33.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.569 -0.741 . . . . 73.42 110.33 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 13' ' ' VAL . 19.8 mm -128.02 116.45 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 73.42 109.656 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 54' ' ' ASN . 4.4 p90 -112.72 130.66 55.98 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.256 -0.978 . . . . 72.42 109.237 171.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.851 ' HA ' HG22 ' A' ' 53' ' ' ILE . 4.4 mp -72.63 111.86 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.675 -0.693 . . . . 75.41 109.893 -175.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -56.84 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.64 -0.709 . . . . 74.52 111.128 -171.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 57.0 tttm -143.44 122.16 12.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.349 . . . . 74.12 110.992 -175.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -108.4 125.95 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.442 -0.345 . . . . 61.13 110.099 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.0 145.73 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.058 -0.349 . . . . 61.43 110.058 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -42.91 -46.49 8.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.915 3.077 . . . . 75.0 113.527 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.64 -35.07 72.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.668 . . . . 74.41 110.526 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.58 -3.12 20.0 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.529 -0.628 . . . . 61.5 111.529 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 27.6 t70 -138.92 124.22 11.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.811 -0.44 . . . . 71.05 109.811 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 42.3 Cg_endo -89.36 -176.36 10.02 Favored 'Cis proline' 0 C--O 1.236 0.389 0 C-N-CA 123.411 -1.496 . . . . 73.31 112.754 -0.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.575 HD11 HH11 ' A' ' 5' ' ' ARG . 73.2 mt -119.02 121.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.943 -0.571 . . . . 62.2 109.799 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 35.2 tt0 -95.43 116.41 28.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.216 0.532 . . . . 74.21 109.937 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.851 HG22 ' HA ' ' A' ' 41' ' ' ILE . 1.4 pp -123.0 148.52 26.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.786 -0.643 . . . . 74.51 110.653 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 24.3 t-20 -97.83 112.92 24.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.862 0.363 . . . . 73.35 110.257 -178.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.724 HG12 ' HG2' ' A' ' 56' ' ' ARG . 23.2 t -119.51 124.51 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 64.4 109.962 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.724 ' HG2' HG12 ' A' ' 55' ' ' VAL . 20.0 mmm180 67.15 12.05 8.73 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 53.44 110.997 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.63 -15.17 58.76 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.138 -0.553 . . . . 64.55 111.834 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -100.94 132.53 46.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.132 -0.322 . . . . 73.35 110.132 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 1.3 pm0 -82.42 124.77 30.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.09 0.472 . . . . 70.31 111.129 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.25 153.58 32.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 62.11 110.153 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.1 t -118.95 107.81 14.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 62' ' ' LEU . 16.6 mt -106.79 142.97 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.446 -0.343 . . . . 75.1 110.336 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -73.75 158.82 33.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.481 -0.562 . . . . 50.43 109.481 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 14.5 ptmm? -53.44 -37.73 62.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.425 . . . . 71.45 111.597 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -56.21 -40.92 74.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.392 . . . . 74.41 111.346 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.73 -34.14 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 61.11 110.953 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.88 -29.88 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.898 0.38 . . . . 63.52 110.988 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.734 ' HG2' ' HG3' ' A' ' 5' ' ' ARG . 48.7 mt-10 -70.29 -13.27 62.09 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.046 -0.525 . . . . 61.54 111.924 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptp -107.57 6.33 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.486 -0.486 . . . . 75.3 111.565 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.789 HD11 HD13 ' A' ' 28' ' ' ILE . 49.0 mm -97.78 118.15 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.997 -0.281 . . . . 61.42 110.568 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 7.8 tp10 -92.88 120.1 32.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.733 -0.84 . . . . 75.14 108.733 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 70' ' ' ILE . 21.3 m -126.58 162.51 30.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.273 0.559 . . . . 70.54 111.725 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -126.02 151.39 47.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 54.13 109.921 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.432 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.131 -0.692 . . . . 75.53 109.131 171.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.416 ' CD2' HG23 ' A' ' 72' ' ' VAL . 69.0 t80 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.961 -0.755 . . . . 71.21 108.961 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.745 ' OG ' ' HA ' ' A' ' 68' ' ' GLU . 28.0 t -88.35 149.82 23.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 65.31 112.046 -173.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.552 HD13 HG11 ' A' ' 72' ' ' VAL . 36.9 tp -63.42 -20.78 65.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.133 -0.94 . . . . 74.52 110.496 176.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.041 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 23.8 ptt180 -78.22 -15.86 58.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 63.12 111.159 -175.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -87.53 -16.38 34.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.944 0.402 . . . . 74.43 110.868 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.558 ' CB ' HG13 ' A' ' 41' ' ' ILE . . . -63.41 154.27 32.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.019 -0.537 . . . . 71.32 110.743 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -116.47 169.42 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.404 -0.362 . . . . 75.24 111.179 -175.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 p -65.82 110.44 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.224 0.535 . . . . 74.11 111.08 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.11 -11.8 22.23 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.872 -0.603 . . . . 72.4 111.83 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.59 145.85 27.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.247 0.546 . . . . 62.53 111.32 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 m -109.25 134.07 52.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.32 -0.855 . . . . 65.52 109.127 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 74' ' ' LEU . 14.0 m -134.46 149.82 30.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.421 -0.215 . . . . 64.51 110.421 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -112.18 125.85 54.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.68 -0.237 . . . . 74.51 110.399 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.723 ' HA ' HG12 ' A' ' 72' ' ' VAL . 58.1 t -71.35 129.39 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.802 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.556 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 3.4 m -116.8 -46.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.288 -0.414 . . . . 72.55 111.697 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 14.4 mptt -130.18 156.94 43.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.893 0.377 . . . . 61.41 110.627 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.02 118.31 20.42 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.655 -0.498 . . . . 73.44 109.655 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -90.51 176.12 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 74.45 109.521 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.92 -177.04 16.37 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.302 -0.951 . . . . 74.44 112.746 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 p -75.26 -77.54 0.12 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.291 . . . . 74.32 111.778 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.66 -58.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.49 -0.862 . . . . 50.34 112.812 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.14 -33.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 71.14 110.693 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 28' ' ' ILE . 61.4 tp -58.33 -43.72 88.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.856 -0.611 . . . . 73.51 110.312 175.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.54 -43.5 98.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 71.2 110.411 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -57.48 -46.69 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 75.01 110.682 175.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -59.21 -47.05 86.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.717 -0.674 . . . . 75.14 110.943 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.529 HG22 ' HB ' ' A' ' 33' ' ' ILE . 74.0 mt -63.38 -42.68 97.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.206 0.527 . . . . 75.14 110.743 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 62.2 mtt -64.66 -50.1 68.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.715 -0.675 . . . . 72.35 111.583 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.39 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.182 0.515 . . . . 75.22 110.368 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.621 ' HE3' HD13 ' A' ' 33' ' ' ILE . 1.8 ttp -63.25 -25.73 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.161 -0.927 . . . . 74.24 110.682 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.46 -18.63 6.04 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.858 -0.687 . . . . 65.43 112.33 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.621 HD13 ' HE3' ' A' ' 31' ' ' MET . 4.1 mp -81.64 103.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.131 0.491 . . . . 73.41 109.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.07 171.06 14.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.056 -0.52 . . . . 63.21 110.717 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -72.21 126.83 30.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.866 0.365 . . . . 71.41 110.751 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.63 -7.13 55.52 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.694 . . . . 34.33 112.695 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.66 144.6 27.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.728 0.299 . . . . 73.24 111.122 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -85.85 120.69 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 72.12 109.959 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 13' ' ' VAL . 27.9 mm -104.19 114.77 44.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.088 -0.505 . . . . 63.31 109.998 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.471 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 48.3 t80 -93.51 112.47 24.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.009 -0.541 . . . . 73.53 109.742 176.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.558 HG13 ' CB ' ' A' ' 7' ' ' ALA . 19.4 mm -85.07 110.15 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.327 -0.62 . . . . 73.43 109.327 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HD2' ' HG2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -102.35 -23.22 13.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.597 -0.441 . . . . 74.43 111.842 -174.725 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 63.8 tttm -150.95 127.26 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.68 0.276 . . . . 73.3 111.113 -176.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.3 t -124.74 122.0 62.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.436 -0.579 . . . . 55.52 109.436 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -70.73 145.26 92.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.569 -0.287 . . . . 71.34 110.78 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 34.0 Cg_exo -58.71 -27.86 84.7 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.905 2.403 . . . . 74.22 112.809 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.6 HD12 ' H ' ' A' ' 49' ' ' ASP . 3.8 pp -100.18 6.69 44.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.037 0.446 . . . . 71.53 110.792 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.22 -35.41 4.48 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.92 -0.582 . . . . 74.43 113.303 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.6 ' H ' HD12 ' A' ' 47' ' ' LEU . 23.1 t70 -118.27 130.37 24.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.996 0.398 . . . . 61.41 111.265 -173.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 98.4 Cg_endo -96.36 172.74 12.62 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.583 -1.424 . . . . 75.31 112.953 -2.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.5 mt -108.17 132.75 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.399 -0.593 . . . . 72.54 109.399 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.582 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 3.9 tp-100 -100.06 115.94 30.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.307 -0.406 . . . . 75.12 109.913 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.548 HG22 HD13 ' A' ' 41' ' ' ILE . 33.0 pt -119.97 139.37 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.88 0.372 . . . . 74.4 110.871 -177.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 11.6 m120 -95.48 110.93 22.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 74.11 110.551 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.63 HG12 ' HG2' ' A' ' 56' ' ' ARG . 42.4 t -135.5 130.54 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.602 -0.727 . . . . 31.05 109.697 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HG2' HG12 ' A' ' 55' ' ' VAL . 34.2 mmt180 61.47 23.35 13.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.997 0.427 . . . . 75.22 111.269 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.11 -11.6 71.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.978 -0.629 . . . . 71.01 112.588 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -99.41 157.28 16.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.033 0.444 . . . . 51.44 111.12 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -99.37 113.32 25.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.872 -0.604 . . . . 55.01 109.416 171.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD13 ' HG2' ' A' ' 31' ' ' MET . 65.4 mt -102.59 128.26 49.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.639 -0.709 . . . . 74.34 110.631 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 p -90.62 109.72 20.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.123 -0.489 . . . . 64.44 109.863 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.6 tp -106.7 139.73 40.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.176 -0.466 . . . . 62.22 110.631 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.487 ' HG3' ' H ' ' A' ' 65' ' ' SER . 5.2 tpp180 -64.05 137.29 57.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 72.33 109.702 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.69 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 21.9 ptmt -55.6 -36.08 66.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.536 0.208 . . . . 74.31 110.75 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.487 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 40.2 t -61.12 -33.5 73.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.065 -0.516 . . . . 71.22 110.73 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.49 -40.13 57.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.308 -0.405 . . . . 72.23 110.019 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.96 85.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 52.42 111.114 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.041 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 6.0 pt-20 -76.8 0.94 18.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 54.15 111.458 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.4 ttm -111.84 -1.13 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.458 0.647 . . . . 73.55 109.677 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 66' ' ' ALA . 66.7 mt -103.69 130.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.828 -0.624 . . . . 63.13 110.17 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.6 tt0 -97.85 116.82 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.64 . . . . 74.23 109.926 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.723 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.6 m -130.83 -178.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.198 0.523 . . . . 75.02 111.075 -177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.15 144.66 40.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.538 -0.755 . . . . 74.22 109.047 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.536 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 109.246 -0.65 . . . . 64.24 109.246 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.354 0.597 . . . . 72.34 109.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.526 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 14.5 m -86.72 158.54 19.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.382 -0.827 . . . . 74.1 110.158 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.549 HD13 HG11 ' A' ' 72' ' ' VAL . 38.1 tp -58.98 -25.4 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.104 0.478 . . . . 73.53 110.278 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HD3' ' HG2' ' A' ' 68' ' ' GLU . 46.4 ttp180 -53.5 -34.43 58.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.375 -0.83 . . . . 73.14 111.696 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -7.18 58.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 73.14 111.959 -173.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.42 142.09 36.26 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.13 -0.322 . . . . 75.13 110.13 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -98.85 154.31 18.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.899 0.38 . . . . 74.2 110.51 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -65.97 125.5 25.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 70.14 110.429 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 8.85 27.92 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.64 -0.79 . . . . 71.53 112.416 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -114.69 163.97 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 51.12 110.392 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -122.7 115.37 21.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 41.44 109.986 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG22 HD11 ' A' ' 41' ' ' ILE . 34.0 m -119.04 161.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.378 -0.374 . . . . 61.22 110.405 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -119.89 143.18 48.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.915 0.388 . . . . 74.13 110.324 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 33' ' ' ILE . 57.5 t -79.16 129.3 37.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.597 -0.729 . . . . 75.3 110.445 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -114.71 -41.0 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.236 0.458 . . . . 65.23 112.236 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 81.1 tttt -139.26 125.25 19.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.272 0.558 . . . . 62.33 111.006 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.73 115.65 29.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.0 -0.545 . . . . 61.25 110.031 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -93.37 153.36 18.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.361 -0.381 . . . . 71.34 110.222 -178.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.34 -167.43 12.97 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.635 -0.793 . . . . 54.42 113.206 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -86.68 173.95 9.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.557 0.217 . . . . 72.24 110.81 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.81 -41.23 99.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.077 -0.582 . . . . 63.04 112.21 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.65 90.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.91 0.386 . . . . 72.4 111.109 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.3 mm? -70.99 -43.57 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 63.42 110.861 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -60.63 -43.12 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.92 0.39 . . . . 74.14 110.319 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -60.81 -39.11 87.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.917 -0.583 . . . . 72.1 111.344 177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.65 -47.69 82.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 62.12 110.556 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.642 HG22 ' HB ' ' A' ' 33' ' ' ILE . 76.8 mt -61.41 -44.42 98.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 70.44 110.748 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.564 ' HG2' HG22 ' A' ' 34' ' ' THR . 66.7 mtt -67.84 -34.82 77.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.249 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.09 -40.19 92.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.02 0.438 . . . . 74.02 110.261 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.613 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 64.5 mtm -68.19 -25.15 65.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 71.41 110.897 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.02 6.66 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.735 -0.745 . . . . 50.04 112.987 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.642 ' HB ' HG22 ' A' ' 28' ' ' ILE . 55.1 mt -102.95 108.78 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 64.04 111.681 -175.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.564 HG22 ' HG2' ' A' ' 29' ' ' MET . 57.2 p -121.29 177.1 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.097 -0.705 . . . . 72.22 109.097 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 -72.82 135.03 45.14 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.518 -0.473 . . . . 75.13 110.31 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.21 67.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.651 . . . . 53.11 112.271 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -79.25 145.3 33.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 74.25 110.791 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -98.88 136.07 39.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.555 -0.748 . . . . 71.21 110.277 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.427 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 61.3 mt -120.76 122.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 71.45 110.16 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -90.96 102.32 15.08 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.021 -0.733 . . . . 64.31 109.021 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 41' ' ' ILE . 3.9 mp -69.46 116.39 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.394 -0.595 . . . . 72.45 109.394 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -91.68 -48.02 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.586 -0.734 . . . . 64.3 111.129 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -152.28 117.45 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 53.34 111.298 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.515 HG22 HG23 ' A' ' 51' ' ' ILE . 51.3 t -103.88 134.77 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.549 -0.537 . . . . 73.31 109.549 175.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -87.88 143.56 33.57 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.689 -0.485 . . . . 72.24 109.689 173.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.3 Cg_exo -61.29 -21.79 72.75 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.947 2.431 . . . . 73.13 112.713 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -73.82 -24.39 59.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.228 0.537 . . . . 62.43 110.313 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.35 -11.69 43.54 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.769 -0.729 . . . . 45.3 111.466 -174.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 4.2 p-10 -149.69 142.89 16.22 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 110.213 -0.292 . . . . 73.14 110.213 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 93.5 Cg_endo -89.37 155.5 33.15 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.058 -1.643 . . . . 63.5 112.325 -4.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.515 HG23 HG22 ' A' ' 44' ' ' VAL . 64.3 mt -109.62 111.1 34.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.083 -0.508 . . . . 74.35 109.993 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.57 118.51 24.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.094 -0.503 . . . . 73.25 109.884 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.5 pt -122.78 136.92 58.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.047 -0.524 . . . . 75.34 110.141 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -94.1 110.38 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.657 -0.497 . . . . 74.25 109.657 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.681 HG12 ' HG3' ' A' ' 56' ' ' ARG . 53.9 t -120.52 120.77 63.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 72.22 110.356 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.681 ' HG3' HG12 ' A' ' 55' ' ' VAL . 31.6 mtm180 60.38 21.38 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 64.54 111.813 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.87 -1.42 57.99 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.673 -0.775 . . . . 50.33 112.847 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -116.6 131.41 56.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 75.43 110.227 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.91 111.17 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.656 0.741 . . . . 75.33 111.119 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 mt -95.91 127.48 41.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.119 -0.946 . . . . 51.4 110.314 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 p -89.39 105.96 18.13 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.358 -0.608 . . . . 60.34 109.358 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -112.74 130.52 56.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.14 -0.482 . . . . 61.3 109.812 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.83 169.25 15.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.716 0.293 . . . . 74.15 110.615 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 19.1 ptpt -56.94 -35.4 69.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.925 -0.579 . . . . 54.5 111.976 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.8 m -53.81 -53.9 45.95 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.212 0.32 . . . . 72.35 111.528 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.72 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.147 -0.221 . . . . 63.04 111.361 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.45 67.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.805 0.336 . . . . 74.4 111.377 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 58.9 mt-10 -78.86 -25.44 44.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.038 0.446 . . . . 50.03 110.401 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 83.9 mtp -84.66 -11.74 55.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.853 -0.612 . . . . 71.25 111.421 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.465 HG22 HG13 ' A' ' 72' ' ' VAL . 61.4 mt -97.15 112.45 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.808 0.337 . . . . 62.43 110.77 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 10.8 tp10 -82.58 117.07 22.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.739 -0.837 . . . . 71.02 108.739 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.549 HG11 HD13 ' A' ' 4' ' ' LEU . 22.6 m -121.45 158.65 24.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.592 0.711 . . . . 61.11 111.679 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -130.44 142.26 50.5 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.08 -0.964 . . . . 73.04 109.362 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.47 HD13 HG12 ' A' ' 13' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.051 0.453 . . . . 73.02 111.205 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.051 -0.722 . . . . 75.24 109.051 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 16.9 p -86.7 149.44 24.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.151 -0.477 . . . . 51.34 111.061 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 13' ' ' VAL . 55.1 tp -64.31 -24.18 67.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.854 -0.612 . . . . 62.23 110.869 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.556 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 3.0 tmm_? -70.7 -19.0 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 74.11 111.072 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -88.15 -13.34 41.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.108 0.48 . . . . 52.55 110.618 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.21 49.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.981 -0.554 . . . . 54.1 110.093 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.06 157.15 16.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.291 0.567 . . . . 54.34 111.273 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.8 p -66.98 125.52 26.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 72.22 111.043 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.2 -2.63 29.77 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.811 -0.709 . . . . 52.05 111.922 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -106.12 165.55 11.15 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.159 -0.311 . . . . 70.34 110.159 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -125.42 122.23 36.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.995 0.426 . . . . 74.13 110.525 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.723 HG12 HD22 ' A' ' 74' ' ' LEU . 33.6 m -114.69 173.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 64.33 110.925 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -127.52 131.95 50.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.896 -0.593 . . . . 73.33 109.632 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.602 ' HA ' HG12 ' A' ' 72' ' ' VAL . 46.8 t -77.68 114.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.36 -0.607 . . . . 55.25 109.36 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -108.64 -39.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.912 0.387 . . . . 73.33 111.624 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 86.7 tttt -142.23 152.93 43.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.164 -0.471 . . . . 73.15 109.774 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -132.09 111.96 11.92 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 64.21 109.829 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -82.25 -85.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.757 -0.46 . . . . 65.11 109.757 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' A' ' 69' ' ' MET . . . 55.94 -144.07 35.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.738 -0.665 . . . . 72.42 113.067 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 p -118.23 14.1 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.213 0.53 . . . . 63.21 110.498 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.47 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 87.96 -60.78 4.11 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.794 -0.717 . . . . 44.03 111.578 -173.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -27.6 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 73.41 110.831 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 66' ' ' ALA . 54.1 tp -68.79 -33.83 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 74.24 110.384 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' ' HA2' ' A' ' 22' ' ' GLY . 9.1 mtpm? -61.1 -46.26 91.34 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.104 -0.498 . . . . 60.22 110.689 -178.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -61.37 -41.27 96.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.891 -0.595 . . . . 41.55 110.686 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -62.64 -42.01 99.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 61.31 110.9 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.523 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 74.1 mt -65.15 -45.46 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 73.21 110.534 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.533 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 70.5 mtm -63.38 -32.59 74.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 54.51 111.348 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.58 -35.53 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 70.34 111.288 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.523 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 65.3 mtm -76.67 -4.64 44.21 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.434 -0.348 . . . . 73.04 111.346 -177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.47 2.33 47.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.931 -0.652 . . . . 61.21 111.928 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 29' ' ' MET . 36.1 mm -101.19 108.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.754 0.311 . . . . 72.04 110.549 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -136.75 176.17 8.95 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.117 -0.327 . . . . 61.52 110.117 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -69.19 117.26 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.098 -0.501 . . . . 74.23 110.187 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.35 -10.52 11.62 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.122 -0.561 . . . . 43.03 112.264 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.9 m -90.46 148.13 22.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 72.24 111.126 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -97.2 143.93 27.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.31 176.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.426 HG12 HG21 ' A' ' 55' ' ' VAL . 43.1 mt -126.21 120.17 56.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.149 0.499 . . . . 74.11 111.025 -177.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -95.81 108.14 20.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.138 -0.69 . . . . 73.11 109.138 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.2 mp -77.46 125.5 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 61.44 110.118 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HB2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 mmm180 -87.71 -57.04 3.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.802 -0.635 . . . . 63.41 111.214 -175.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 36.8 ttmt -150.52 137.78 19.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.458 -0.337 . . . . 75.31 110.459 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.55 138.41 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.234 -0.654 . . . . 52.31 109.234 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.12 145.23 56.0 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.371 -0.233 . . . . 54.43 110.371 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.5 -20.44 56.98 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.04 2.494 . . . . 74.22 112.937 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -104.32 0.23 28.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 70.51 110.782 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.923 ' HA3' ' HD3' ' A' ' 64' ' ' LYS . . . 126.11 -90.69 0.38 Allowed Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 121.111 -0.566 . . . . 72.01 112.574 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.787 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 5.3 p-10 -107.51 165.32 13.01 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 120.514 0.197 . . . . 64.53 110.733 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.787 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.9 Cg_endo -75.64 137.27 48.88 Favored 'Cis proline' 0 C--N 1.343 0.24 0 C-N-CA 123.318 -1.534 . . . . 72.34 112.982 2.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.65 112.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 73.34 109.404 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.708 ' HB3' ' HB2' ' A' ' 42' ' ' ARG . 21.5 mm-40 -79.43 114.27 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.897 -0.592 . . . . 74.02 110.694 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.509 HG13 ' HB2' ' A' ' 60' ' ' LEU . 39.1 pt -122.68 136.29 59.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.887 -0.412 . . . . 74.1 109.887 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -108.45 109.82 21.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.032 -0.358 . . . . 70.45 110.032 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.72 HG12 ' HG2' ' A' ' 56' ' ' ARG . 58.4 t -136.5 133.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.068 -0.514 . . . . 72.43 110.184 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.72 ' HG2' HG12 ' A' ' 55' ' ' VAL . 4.2 mmp_? 63.44 18.31 10.95 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.962 -0.563 . . . . 73.45 111.083 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.32 67.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.089 -0.577 . . . . 74.14 112.303 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -87.28 136.99 32.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.839 0.352 . . . . 74.02 110.774 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -90.16 112.86 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.765 -0.828 . . . . 74.44 108.765 172.305 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HB2' HG13 ' A' ' 53' ' ' ILE . 85.6 mt -109.69 127.77 54.81 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.763 -0.653 . . . . 74.4 111.421 -173.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -93.9 105.76 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 74.33 109.494 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.9 tp -105.43 134.7 48.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.908 0.385 . . . . 72.33 110.513 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.57 142.49 44.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 73.3 109.64 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.923 ' HD3' ' HA3' ' A' ' 48' ' ' GLY . 18.6 pttp -67.52 -24.99 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.826 -0.35 . . . . 73.05 111.009 -175.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -52.82 -36.55 58.74 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.057 0.456 . . . . 54.41 110.41 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.596 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -77.84 -50.16 12.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 60.25 111.025 174.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -61.59 -29.25 69.91 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.69 0.626 . . . . 42.2 112.69 -172.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 42.4 mt-10 -76.63 -12.05 59.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.886 0.374 . . . . 75.41 111.197 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.454 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 1.1 mpt? -107.05 1.25 24.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.506 . . . . 72.31 110.789 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.642 HG22 HG13 ' A' ' 72' ' ' VAL . 73.5 mt -91.08 133.6 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.573 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.715 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 5.2 tp10 -99.46 109.53 22.09 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.561 -0.533 . . . . 73.33 109.561 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.642 HG13 HG22 ' A' ' 70' ' ' ILE . 30.5 m -126.78 164.51 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.033 0.444 . . . . 62.22 111.072 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -116.29 144.47 44.19 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.364 -0.606 . . . . 75.4 109.364 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.723 HD22 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 N-CA-C 109.503 -0.554 . . . . 74.24 109.503 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 109.166 -0.679 . . . . 72.43 109.166 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -96.4 172.74 7.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.826 0.346 . . . . 52.33 110.629 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.467 HD13 HG11 ' A' ' 72' ' ' VAL . 32.4 tp -70.71 -16.18 62.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.253 0.549 . . . . 75.21 110.146 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 5' ' ' ARG . 15.2 tpt180 -83.63 -14.48 51.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.958 -0.565 . . . . 74.12 110.103 177.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -81.76 -21.6 37.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.085 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.433 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . -83.19 151.7 25.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.023 -0.535 . . . . 65.12 110.966 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 7' ' ' ALA . 13.5 mptt -118.02 173.7 6.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 74.33 110.978 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.707 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 1.8 p -64.03 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.8 -0.636 . . . . 72.03 111.539 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.68 -15.26 63.71 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.726 -0.67 . . . . 72.04 112.27 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -93.6 126.27 38.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.043 0.449 . . . . 64.54 110.956 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -92.99 118.08 30.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.599 -0.728 . . . . 73.23 110.39 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.417 HG12 HD13 ' A' ' 74' ' ' LEU . 35.4 m -118.91 165.56 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.236 -0.438 . . . . 62.43 110.544 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -121.32 128.71 52.57 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.886 -0.413 . . . . 70.35 109.886 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.623 ' HA ' HG12 ' A' ' 72' ' ' VAL . 61.9 t -70.45 126.27 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.42 . . . . 63.13 110.547 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -117.6 -39.22 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.152 0.427 . . . . 63.23 112.152 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.848 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 12.0 mptt -132.25 140.86 48.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 73.32 111.041 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.485 ' CD2' HD12 ' A' ' 70' ' ' ILE . 81.6 mt -113.71 103.24 11.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.038 -0.727 . . . . 75.33 109.038 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.419 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 36.4 m-70 -85.93 -85.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 64.11 110.275 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.804 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . 59.76 -159.17 22.7 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.128 -0.558 . . . . 43.32 113.405 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.624 HG22 HD23 ' A' ' 24' ' ' LEU . 15.0 t -121.82 21.72 10.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.776 0.798 . . . . 73.44 109.871 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.5 -63.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 70.53 112.361 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.69 -37.65 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.088 0.47 . . . . 63.43 111.325 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.624 HD23 HG22 ' A' ' 21' ' ' THR . 4.1 mm? -62.66 -39.85 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 54.31 111.09 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HE3' ' O ' ' A' ' 19' ' ' HIS . 98.7 mttt -55.24 -52.96 61.71 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.327 0.392 . . . . 74.04 110.885 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -59.25 -52.42 65.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.95 -0.568 . . . . 73.01 111.333 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.643 ' O ' ' HG3' ' A' ' 31' ' ' MET . 41.9 mtp180 -59.14 -48.69 80.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 73.24 111.514 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.591 ' CD1' HD11 ' A' ' 70' ' ' ILE . 77.0 mt -63.74 -32.93 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.009 0.433 . . . . 72.2 110.65 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtm -70.19 -40.75 74.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 63.3 110.771 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.35 -30.91 70.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 73.51 111.292 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 39.9 mtt -66.69 -22.79 66.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 60.15 110.907 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.71 5.09 26.08 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.412 -0.675 . . . . 70.23 111.412 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 39' ' ' ILE . 47.5 mm -98.18 111.5 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 65.42 110.557 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -127.25 173.91 9.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.379 -0.373 . . . . 55.2 110.315 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 35' ' ' ARG . 11.9 mtp180 -68.24 120.23 14.06 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.571 -0.529 . . . . 72.12 109.571 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.86 6.25 30.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.841 -0.695 . . . . 74.52 112.264 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.86 144.36 30.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.598 0.237 . . . . 60.35 110.726 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -89.42 142.34 27.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.299 -0.409 . . . . 64.1 110.428 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 33' ' ' ILE . 56.5 mt -142.45 129.99 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 33.24 109.367 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.604 ' CE1' ' HB3' ' A' ' 54' ' ' ASN . 6.2 p90 -116.43 135.5 53.79 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.982 -0.748 . . . . 75.54 108.982 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.707 ' HB ' ' HA ' ' A' ' 9' ' ' CYS . 27.4 mm -70.34 118.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.667 -0.494 . . . . 74.41 109.667 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' H ' ' HA ' ' A' ' 53' ' ' ILE . 11.8 tpt180 -73.47 -57.99 3.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.933 -0.576 . . . . 73.21 109.778 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -155.35 145.73 21.95 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.974 -0.557 . . . . 71.31 109.728 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 51' ' ' ILE . 55.4 t -110.37 126.78 67.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.424 -0.584 . . . . 75.23 109.424 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.66 144.86 63.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 62.35 110.122 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.5 -21.7 25.07 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.155 2.57 . . . . 73.24 113.433 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.757 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.5 pt? -101.96 3.78 39.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.621 -0.263 . . . . 71.32 111.563 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.37 -23.6 17.99 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.983 -0.627 . . . . 61.41 112.894 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 15.1 t70 -127.02 124.7 24.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.24 -0.281 . . . . 73.0 110.24 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 94.9 Cg_endo -96.79 -165.41 1.08 Allowed 'Cis proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.635 -1.402 . . . . 74.43 112.55 -2.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG22 HG13 ' A' ' 44' ' ' VAL . 17.2 pt -116.67 135.04 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 64.32 110.342 175.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -97.79 128.03 44.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.858 -0.61 . . . . 75.35 109.593 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.472 ' HA ' ' H ' ' A' ' 42' ' ' ARG . 39.4 pt -124.76 156.51 33.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.764 -0.458 . . . . 60.21 109.764 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.604 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 18.1 t-20 -119.51 110.3 16.73 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.717 -0.475 . . . . 63.32 109.717 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.827 HG12 ' HG2' ' A' ' 56' ' ' ARG . 22.0 t -138.12 136.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.102 -0.499 . . . . 71.31 110.139 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.827 ' HG2' HG12 ' A' ' 55' ' ' VAL . 13.0 mmt85 67.52 11.92 8.62 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.729 0.411 . . . . 72.12 111.409 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.25 -2.62 71.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.054 -0.593 . . . . 74.45 112.137 -175.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -107.76 139.29 42.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.971 0.415 . . . . 72.43 110.925 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.81 110.12 21.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.476 0.655 . . . . 64.11 109.801 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 mt -105.42 152.2 23.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.465 -0.789 . . . . 74.34 109.58 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -127.72 114.96 17.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.617 -0.433 . . . . 62.24 110.158 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.92 141.09 38.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.954 -0.566 . . . . 63.23 109.974 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -72.25 155.56 40.07 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.632 -0.427 . . . . 71.21 109.963 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -56.34 -34.68 66.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.521 . . . . 73.5 111.565 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -60.7 -39.84 90.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 42.22 111.409 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.585 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -75.43 -33.95 60.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.047 -0.353 . . . . 55.22 110.047 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' HD11 ' A' ' 51' ' ' ILE . . . -60.62 -43.45 97.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.611 . . . . 62.31 111.399 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.11 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.251 -0.431 . . . . 71.45 111.292 -178.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.804 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 64.6 mtt -91.03 -11.16 39.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 74.13 110.627 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 28' ' ' ILE . 36.7 mm -98.27 129.74 48.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.107 -0.497 . . . . 62.25 110.261 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.848 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.4 tt0 -102.04 125.04 48.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 74.14 109.628 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 15' ' ' VAL . 29.3 m -132.3 174.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.14 0.495 . . . . 74.32 111.331 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -139.15 143.04 38.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.38 -0.827 . . . . 65.13 109.492 177.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.417 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 110.444 -0.206 . . . . 60.21 110.444 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.2 t80 . . . . . 0 CA--C 1.516 -0.331 0 N-CA-C 109.263 -0.643 . . . . 72.51 109.263 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 m -114.06 -176.83 2.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 73.03 110.938 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.606 HD21 HG21 ' A' ' 53' ' ' ILE . 19.4 tp -61.62 -22.32 65.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.782 -0.645 . . . . 73.33 111.009 -178.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HG2' ' HB3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -78.67 -12.66 60.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.819 -0.628 . . . . 52.44 110.871 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.425 ' CG ' ' HE ' ' A' ' 5' ' ' ARG . 4.1 m-20 -91.82 -18.77 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 54.42 111.748 -174.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.94 179.39 7.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.194 0.521 . . . . 65.23 112.11 -173.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -107.5 -176.65 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 72.11 110.149 -178.185 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.517 ' SG ' ' HB ' ' A' ' 44' ' ' VAL . 36.0 m -82.37 141.21 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 62.54 110.66 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.87 5.58 89.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.961 -0.638 . . . . 74.31 112.805 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.526 HE21 HD11 ' A' ' 74' ' ' LEU . 15.9 mm100 -87.17 146.33 26.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 73.3 111.241 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 m -103.41 106.79 17.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 74.1 109.801 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -113.01 159.7 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.329 -0.396 . . . . 72.33 110.477 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -120.04 141.92 49.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.802 0.334 . . . . 74.13 111.004 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.62 132.54 31.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.887 -0.597 . . . . 74.24 111.233 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 m -118.02 -42.84 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.033 0.383 . . . . 74.3 112.033 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 55.1 mtmt -135.9 161.7 34.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.54 0.21 . . . . 74.34 110.525 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 61.5 mt -134.97 112.57 10.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.17 0.509 . . . . 65.35 111.127 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 35.7 m-70 -88.99 175.6 7.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.454 -0.793 . . . . 73.24 109.705 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.45 176.29 14.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.401 -0.904 . . . . 71.4 112.915 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -87.42 24.59 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.022 0.439 . . . . 75.12 111.662 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.58 -55.92 4.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.668 -0.777 . . . . 73.02 111.637 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.45 90.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 43.12 110.552 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.33 -46.93 81.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 71.33 110.613 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 97.2 mttt -53.39 -49.26 67.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 72.14 110.239 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.25 -51.22 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 74.11 110.822 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' A' ' 31' ' ' MET . 10.0 ttm180 -54.78 -47.84 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 74.41 110.826 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.746 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 96.0 mt -58.26 -49.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.856 -0.611 . . . . 71.44 110.929 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.4 mtt -62.61 -43.28 99.22 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.095 0.474 . . . . 63.14 110.857 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.43 -0.805 . . . . 73.41 111.414 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.746 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.1 mtm -78.21 -6.15 54.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 64.25 111.116 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.52 4.86 34.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.659 -0.782 . . . . 71.13 112.552 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.706 HG23 HD11 ' A' ' 39' ' ' ILE . 54.0 mt -94.97 95.91 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.311 0.577 . . . . 62.34 110.607 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 p -113.86 172.23 7.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.643 -0.708 . . . . 72.02 110.688 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -73.16 117.35 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 71.53 110.169 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.55 -15.61 22.06 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.701 -0.762 . . . . 72.01 112.955 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.24 145.23 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.28 0.54 . . . . 72.01 110.688 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.33 113.2 25.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.811 -0.631 . . . . 65.41 110.123 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.706 HD11 HG23 ' A' ' 33' ' ' ILE . 64.6 mt -104.33 116.15 47.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.178 0.513 . . . . 53.21 110.825 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -83.04 113.64 20.73 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.382 -0.826 . . . . 74.34 109.639 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -78.31 119.86 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.946 -0.39 . . . . 73.4 109.946 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.72 ' HG3' ' HG2' ' A' ' 43' ' ' LYS . 18.8 tpp180 -78.55 -58.84 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.897 0.379 . . . . 74.23 110.681 -176.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.72 ' HG2' ' HG3' ' A' ' 42' ' ' ARG . 75.0 mmtt -144.02 134.13 24.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 63.11 110.94 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HB ' ' SG ' ' A' ' 9' ' ' CYS . 57.6 t -120.81 124.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.041 -0.726 . . . . 74.23 109.041 172.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 145.23 89.5 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.641 -0.254 . . . . 52.33 110.873 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.93 -23.51 75.96 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.791 2.327 . . . . 74.51 111.889 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.751 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.2 pt? -92.89 9.88 33.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.775 -0.648 . . . . 71.52 110.57 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -79.66 0.32 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.865 -0.607 . . . . 71.42 111.619 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.632 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.4 p-10 -106.49 160.14 27.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 110.111 -0.329 . . . . 74.03 110.111 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.632 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 90.2 Cg_endo -81.15 153.3 81.32 Favored 'Cis proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.166 -1.597 . . . . 52.04 113.152 0.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.448 HG23 HG22 ' A' ' 44' ' ' VAL . 59.1 mt -108.64 115.89 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.83 -0.623 . . . . 73.32 109.743 176.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -98.6 121.48 40.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.668 -0.696 . . . . 74.51 110.291 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 4' ' ' LEU . 30.6 pt -121.22 150.75 24.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.336 -0.393 . . . . 75.24 110.258 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -109.8 110.21 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.844 0.354 . . . . 72.51 110.286 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.604 HG12 ' HG2' ' A' ' 56' ' ' ARG . 59.7 t -111.92 128.16 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 74.13 109.784 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG2' HG12 ' A' ' 55' ' ' VAL . 21.1 mmt180 66.11 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.793 0.683 . . . . 61.33 109.965 -175.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.7 18.07 0.42 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.603 -0.999 . . . . 63.41 110.603 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -124.72 132.72 53.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.619 . . . . 73.21 109.327 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 42' ' ' ARG . 41.5 mt-10 -91.39 130.55 37.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 70.21 111.394 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.06 125.83 52.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.956 . . . . 74.32 110.285 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -97.25 107.05 19.48 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.603 -0.517 . . . . 72.14 109.603 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.9 mt -109.58 142.2 41.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.187 -0.46 . . . . 55.3 110.792 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -78.3 171.58 14.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.549 . . . . 75.1 110.26 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -57.33 -37.07 71.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 72.14 110.879 -173.454 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' A' ' 69' ' ' MET . 18.0 m -59.66 -45.25 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.408 0.521 . . . . 51.12 112.408 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -31.74 61.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 71.5 110.641 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.29 73.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 75.35 111.214 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.623 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 6.1 pt-20 -87.71 3.13 49.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 73.23 110.885 177.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 65' ' ' SER . 67.1 mtt -98.39 -27.03 14.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.956 0.408 . . . . 74.54 110.104 174.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.46 HG12 HD13 ' A' ' 28' ' ' ILE . 56.3 mt -85.99 98.33 6.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.312 -0.404 . . . . 74.54 110.406 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.545 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.2 tp10 -74.42 123.39 24.59 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.579 -0.897 . . . . 72.4 108.579 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -129.17 -176.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.734 0.778 . . . . 73.02 112.217 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -144.3 130.88 20.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.587 -1.188 . . . . 75.44 109.107 175.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.526 HD11 HE21 ' A' ' 11' ' ' GLN . 30.1 tp . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.328 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.339 -0.615 . . . . 74.21 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -105.58 148.83 26.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.673 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.28 -25.56 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.435 0.636 . . . . 71.42 109.737 176.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.866 ' HD2' ' HG3' ' A' ' 68' ' ' GLU . 31.6 ttt-85 -58.9 -23.93 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.049 -0.978 . . . . 74.11 111.285 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -114.23 8.22 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.262 0.553 . . . . 73.33 110.841 -172.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 126.83 30.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 73.25 109.905 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 12.2 mptt -77.8 157.02 30.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.3 -175.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.06 130.13 41.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.036 -0.529 . . . . 63.43 110.958 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 4.65 59.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.832 -0.699 . . . . 75.5 112.206 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -94.88 156.52 16.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.092 0.473 . . . . 45.04 110.93 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 m -118.68 114.43 22.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.531 -0.759 . . . . 61.04 109.123 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.39 162.58 12.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.46 . . . . 71.15 111.474 -174.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 38' ' ' GLU . 2.5 tpmt? -119.27 120.34 36.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.56 -0.746 . . . . 75.34 109.473 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.597 ' HA ' HG12 ' A' ' 72' ' ' VAL . 53.0 t -69.34 125.51 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 110.364 -0.236 . . . . 73.24 110.364 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.427 HG23 ' HG2' ' A' ' 71' ' ' GLU . 10.7 m -120.33 -41.95 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.308 0.485 . . . . 75.22 112.308 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.798 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 60.9 mttp -132.09 150.42 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.04 0.448 . . . . 73.03 111.035 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.48 95.28 4.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.412 -0.588 . . . . 63.23 109.412 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -85.42 2.32 44.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.874 -172.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . -65.67 -45.16 90.65 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.79 -0.719 . . . . 65.23 111.808 176.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.429 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 10.7 m 75.23 133.42 0.05 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.21 0.604 . . . . 75.54 112.431 174.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 26' ' ' ARG . . . 55.87 -107.1 0.73 Allowed Glycine 0 C--N 1.334 0.462 0 CA-C-N 115.528 -0.76 . . . . 72.23 113.694 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.74 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.168 0.508 . . . . 72.43 111.733 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.85 -45.47 64.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 72.14 110.637 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 21' ' ' THR . 96.4 mttt -58.25 -48.6 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 74.12 110.839 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 30.5 mmm-85 -57.69 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.01 111.616 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -57.7 -45.1 86.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.838 0.352 . . . . 72.31 110.859 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.616 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 94.9 mt -63.97 -46.48 93.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.084 -0.507 . . . . 75.11 110.962 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.92 -34.79 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 74.33 111.236 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.81 -29.93 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 73.33 110.945 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.616 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 63.8 mtm -81.02 2.43 27.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.07 -0.514 . . . . 62.2 110.905 178.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.98 -5.31 59.45 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.898 -0.668 . . . . 50.23 112.509 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.577 HG12 HG11 ' A' ' 55' ' ' VAL . 27.5 mt -86.25 95.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.446 . . . . 74.15 109.979 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 p -118.77 154.01 33.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 62.12 110.67 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -60.67 121.27 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 71.14 110.006 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.02 -18.79 9.64 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.862 -0.685 . . . . 75.3 112.104 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -84.45 167.39 16.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.875 0.369 . . . . 74.13 110.712 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . 8.2 pt-20 -117.41 140.95 48.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.053 -0.521 . . . . 71.44 110.355 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 55' ' ' VAL . 55.8 mt -124.54 130.18 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.956 -0.566 . . . . 71.34 110.401 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -100.09 120.71 40.27 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.579 -0.737 . . . . 72.52 109.533 173.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.8 mp -94.97 125.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.249 -0.432 . . . . 63.44 110.034 -177.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 54' ' ' ASN . 1.2 mpt_? -97.51 -57.33 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.986 0.422 . . . . 64.42 111.226 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 59.3 mmtt -121.8 130.33 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.102 -0.499 . . . . 74.13 112.246 -172.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.2 t -122.25 123.91 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.925 -1.034 . . . . 73.13 108.377 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 150.12 91.79 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.648 -0.251 . . . . 71.53 110.972 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.52 -17.75 55.76 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.91 2.407 . . . . 73.24 112.66 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.739 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.3 pt? -111.09 6.21 20.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.434 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.48 -78.83 0.25 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 121.03 -0.605 . . . . 74.52 112.645 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.772 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 9.2 p-10 -91.07 149.42 39.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.675 0.274 . . . . 65.23 111.221 -175.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -93.85 157.84 18.3 Favored 'Cis proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.942 -1.274 . . . . 64.41 112.712 -2.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.424 HG22 HG23 ' A' ' 53' ' ' ILE . 63.6 mt -105.08 129.69 57.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.032 -0.531 . . . . 72.41 110.504 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 2.0 mp0 -99.67 112.77 24.97 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.288 -0.415 . . . . 63.01 110.472 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 34.8 pt -125.78 163.74 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 73.22 110.87 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 27.0 t-20 -120.22 122.8 41.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 73.21 110.076 177.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.737 HG12 ' HG2' ' A' ' 56' ' ' ARG . 40.0 t -132.58 129.19 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 75.42 109.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.737 ' HG2' HG12 ' A' ' 55' ' ' VAL . 36.4 mmt180 67.0 9.69 7.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.319 0.387 . . . . 72.13 111.178 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.27 -16.04 60.51 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.627 -0.589 . . . . 55.43 111.627 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.451 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 93.1 m-85 -86.83 152.93 22.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.419 . . . . 74.53 110.72 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -85.56 122.45 29.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 75.3 110.042 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' HG ' HD11 ' A' ' 33' ' ' ILE . 3.6 mm? -119.04 131.32 55.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.251 0.548 . . . . 74.24 110.849 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -122.24 106.67 11.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.804 -0.635 . . . . 61.32 109.722 176.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.72 149.61 29.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.938 0.399 . . . . 75.34 111.055 -176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 5.6 tpp180 -73.55 163.77 27.56 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.88 -0.6 . . . . 71.4 109.939 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.772 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 33.0 ttmt -46.65 -45.03 18.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.135 -0.939 . . . . 75.22 111.606 175.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 p -56.43 -50.69 70.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.73 -0.668 . . . . 50.4 112.464 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.433 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -64.81 -51.93 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 73.43 111.392 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.56 -30.9 67.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.777 0.798 . . . . 43.24 110.982 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.866 ' HG3' ' HD2' ' A' ' 5' ' ' ARG . 32.4 tt0 -69.91 -26.99 64.42 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.458 -1.246 . . . . 73.41 111.28 -175.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.453 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 65.4 mtt -96.48 -3.93 42.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.073 0.464 . . . . 74.33 111.127 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.459 HG22 HG13 ' A' ' 72' ' ' VAL . 70.5 mt -92.17 121.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 64.31 110.494 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.798 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.8 tt0 -97.68 118.9 35.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.585 -0.524 . . . . 73.21 109.585 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.7 m -124.29 163.73 23.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.635 -0.711 . . . . 74.32 110.009 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -117.54 153.02 33.91 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.675 -0.693 . . . . 71.01 109.137 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 71.52 110.41 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.1 t80 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 109.201 -0.666 . . . . 53.22 109.201 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -85.18 160.44 19.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.972 0.415 . . . . 62.12 111.671 -174.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.719 HD13 HG11 ' A' ' 72' ' ' VAL . 47.3 tp -67.39 -31.2 71.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.91 -0.586 . . . . 64.52 110.646 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.07 ' HG2' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.81 -6.56 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 74.51 110.852 179.053 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -96.15 0.29 51.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.729 0.776 . . . . 70.34 109.689 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.27 133.6 34.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.792 . . . . 55.35 110.541 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -78.86 161.84 26.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 73.41 111.502 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 t -65.92 132.24 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.265 -0.879 . . . . 74.42 110.762 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.87 3.67 62.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.954 -0.641 . . . . 72.33 112.688 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -108.48 146.81 32.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.898 0.38 . . . . 74.11 110.995 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -104.58 115.21 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 74.42 110.119 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.479 HG12 HD22 ' A' ' 74' ' ' LEU . 20.8 m -115.08 153.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.051 -0.522 . . . . 72.05 110.114 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -108.88 128.33 54.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.484 0.183 . . . . 74.3 111.128 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.861 ' HA ' HG12 ' A' ' 72' ' ' VAL . 65.9 t -70.89 127.7 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 64.15 110.666 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.579 HG23 ' HG3' ' A' ' 71' ' ' GLU . 5.6 m -112.6 -41.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.502 0.556 . . . . 54.45 112.502 -176.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HB3' ' OE1' ' A' ' 71' ' ' GLU . 4.7 mtmt -144.5 153.32 41.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.059 0.457 . . . . 70.34 111.164 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.546 HD23 HG23 ' A' ' 70' ' ' ILE . 66.6 mt -124.18 124.41 42.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.565 -0.743 . . . . 61.03 110.257 -177.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.557 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 67.7 m-70 -93.24 152.55 19.12 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.752 -0.462 . . . . 62.25 109.752 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.67 161.25 9.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.64 -0.79 . . . . 70.21 112.387 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -90.25 55.27 3.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.913 0.863 . . . . 53.4 111.269 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.16 -64.99 2.71 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.785 -0.643 . . . . 40.14 113.009 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.3 98.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 63.12 111.131 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 49.9 tp -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 71.42 110.498 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 94.2 mttt -59.97 -46.87 88.04 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-O 120.888 0.375 . . . . 75.31 110.482 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -59.11 -45.26 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 61.13 110.863 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -55.02 -51.51 66.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 60.32 110.751 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.655 HG22 ' HB ' ' A' ' 33' ' ' ILE . 81.5 mt -56.97 -45.38 83.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 73.45 111.14 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 61.9 mtm -70.51 -29.24 65.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 73.23 111.441 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.98 -38.35 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 53.12 110.945 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.52 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.9 mpp? -70.05 -17.99 63.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.809 0.338 . . . . 74.45 111.021 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.64 -5.93 14.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.835 -0.697 . . . . 73.11 112.288 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.657 HG23 HD11 ' A' ' 39' ' ' ILE . 18.0 mm -82.39 108.65 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.774 0.321 . . . . 74.21 110.216 -177.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -142.55 -179.42 6.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.706 -0.398 . . . . 70.54 110.663 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -75.89 125.67 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.77 0.319 . . . . 64.32 110.718 -174.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.57 7.43 51.29 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.834 -0.698 . . . . 54.3 113.174 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.65 140.74 35.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.068 0.434 . . . . 71.12 110.484 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.1 mp0 -90.66 129.78 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.807 -0.442 . . . . 74.33 109.807 175.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.657 HD11 HG23 ' A' ' 33' ' ' ILE . 59.6 mt -118.84 118.43 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.108 0.48 . . . . 63.2 110.827 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -80.43 114.85 19.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.61 -0.723 . . . . 51.12 109.542 171.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -76.02 103.33 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.363 -0.606 . . . . 75.14 109.363 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -66.26 -56.2 12.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.906 -0.588 . . . . 72.42 110.821 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -152.52 134.14 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.854 0.359 . . . . 73.14 111.373 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.74 131.78 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.964 -0.754 . . . . 73.13 108.964 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.78 145.23 70.2 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.675 -0.239 . . . . 74.24 111.072 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.15 -18.38 57.91 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.831 2.354 . . . . 74.41 112.723 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.9 pt? -106.74 11.2 30.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 64.34 110.511 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 -77.02 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.697 -0.561 . . . . 72.31 111.697 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.743 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 1.9 p-10 -125.68 170.57 9.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.923 -0.399 . . . . 71.51 109.923 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.743 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 59.7 Cg_endo -70.82 139.5 58.09 Favored 'Cis proline' 0 C--N 1.351 0.684 0 C-N-CA 123.809 -1.329 . . . . 63.02 113.121 3.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.7 mt -94.54 121.17 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.575 -0.739 . . . . 74.21 109.288 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 51.3 mt-30 -91.97 118.28 30.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 75.32 110.565 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.406 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.0 pt -120.82 137.11 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.924 -0.58 . . . . 72.13 110.534 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -95.07 110.42 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 50.15 111.005 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.898 HG12 ' HG2' ' A' ' 56' ' ' ARG . 52.2 t -145.3 134.14 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 73.4 110.172 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.898 ' HG2' HG12 ' A' ' 55' ' ' VAL . 35.5 mmt180 67.18 20.86 10.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 122.942 0.497 . . . . 53.44 110.952 175.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.92 12.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.655 -0.783 . . . . 44.44 111.558 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -89.05 157.16 18.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.986 0.422 . . . . 75.42 110.604 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -113.07 110.48 20.53 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.022 -0.733 . . . . 63.44 109.022 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 31' ' ' MET . 51.0 mt -90.27 149.56 22.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.979 -1.009 . . . . 73.11 111.271 -169.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 m -100.63 106.73 18.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.824 -0.625 . . . . 71.24 109.35 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.56 137.7 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.94 0.4 . . . . 73.21 111.004 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.524 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 17.5 tpt180 -73.46 142.41 46.85 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.809 -0.632 . . . . 61.31 109.416 177.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.658 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 22.4 pttm -58.17 -34.49 70.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.493 -0.322 . . . . 74.42 111.52 -176.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -60.17 -44.0 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.98 0.419 . . . . 71.52 111.105 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 73.44 110.644 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 5' ' ' ARG . . . -69.24 -20.75 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 73.32 111.159 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.07 ' HG2' ' HG2' ' A' ' 5' ' ' ARG . 40.2 mt-10 -86.55 -17.04 35.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.518 . . . . 74.45 110.065 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 1.9 tpt -86.75 -16.01 37.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 73.3 110.309 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.546 HG23 HD23 ' A' ' 18' ' ' LEU . 73.9 mt -100.4 132.06 46.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.841 -0.618 . . . . 74.41 110.055 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 16' ' ' VAL . 2.7 pt-20 -106.1 142.83 35.14 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 119.478 -0.889 . . . . 75.21 110.708 171.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -135.51 176.17 9.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.925 -1.034 . . . . 62.54 109.764 -177.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -126.07 144.08 50.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.961 0.41 . . . . 74.55 110.682 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD22 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 108.552 -0.907 . . . . 74.21 108.552 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.629 ' HD2' HG23 ' A' ' 72' ' ' VAL . 70.1 t80 . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 108.751 -0.833 . . . . 75.12 108.751 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.673 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 13.0 m -83.13 151.3 25.78 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.834 -0.621 . . . . 74.11 110.937 -175.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 39' ' ' ILE . 42.1 tp -64.58 -23.57 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 75.11 110.518 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 1.1 ptt180 -64.21 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 74.55 110.571 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 m-20 -88.7 -1.09 57.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.834 -0.621 . . . . 52.51 111.04 -176.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.22 118.44 26.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.607 -0.516 . . . . 65.42 109.607 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.538 ' HA ' HG21 ' A' ' 44' ' ' VAL . 1.3 mptm? -94.84 170.87 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.309 0.576 . . . . 75.33 112.02 -173.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.502 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 5.2 p -60.77 124.28 19.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.255 -0.884 . . . . 72.31 111.286 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.91 -9.79 60.15 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.762 -0.732 . . . . 61.41 112.252 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -93.49 157.83 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.082 0.468 . . . . 74.53 110.567 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -126.86 128.58 46.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.724 . . . . 75.11 109.721 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 HD22 ' A' ' 74' ' ' LEU . 24.5 m -128.05 177.86 5.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.417 -0.356 . . . . 73.34 110.733 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -132.38 126.95 34.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.953 -0.567 . . . . 52.43 110.332 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.888 ' HA ' HG12 ' A' ' 72' ' ' VAL . 60.8 t -78.88 125.68 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.981 -0.377 . . . . 71.11 109.981 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.94 -44.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.144 -0.622 . . . . 70.13 112.462 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.32 137.56 40.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.568 0.699 . . . . 62.22 111.643 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' CD2' HD12 ' A' ' 70' ' ' ILE . 46.8 mt -100.89 119.1 38.2 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.288 -0.869 . . . . 65.21 108.788 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' MET . 52.6 m170 -88.36 -2.92 58.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.752 0.31 . . . . 53.11 111.58 -173.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . -84.9 165.9 40.44 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.696 -0.764 . . . . 75.25 112.273 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 22' ' ' GLY . 1.6 m -85.33 -174.86 5.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.612 -0.514 . . . . 61.34 109.612 177.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.738 ' H ' HG22 ' A' ' 21' ' ' THR . . . -50.65 -43.49 46.46 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.666 0.627 . . . . 45.33 114.666 -173.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.148 0.474 . . . . 72.02 110.882 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' HG ' ' HE1' ' A' ' 69' ' ' MET . 4.2 mm? -72.64 -46.49 53.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 51.53 109.977 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 29' ' ' MET . 99.5 mttt -56.09 -53.71 53.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 72.33 111.084 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -64.8 -33.66 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.51 111.059 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpt180 -61.88 -46.99 86.98 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.141 0.496 . . . . 70.53 110.149 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.6 HG22 ' HB ' ' A' ' 33' ' ' ILE . 63.1 mt -71.41 -37.06 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.555 -0.748 . . . . 65.54 110.881 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 67.9 mtt -65.31 -43.24 91.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 71.5 111.173 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.22 -33.15 70.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.405 0.621 . . . . 61.04 110.279 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.628 ' HE1' HD13 ' A' ' 62' ' ' LEU . 3.0 ttp -67.9 -24.21 65.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.063 -0.972 . . . . 60.45 110.842 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.82 -15.75 16.47 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.089 -0.577 . . . . 51.15 112.072 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.6 ' HB ' HG22 ' A' ' 28' ' ' ILE . 18.2 mt -82.16 115.4 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 51.12 110.183 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 p -131.71 -176.23 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.988 -0.551 . . . . 55.42 110.997 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -81.13 128.88 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.06 -0.348 . . . . 73.1 110.06 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.03 27.45 37.39 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.035 -0.602 . . . . 72.04 112.62 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.83 149.26 28.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.89 0.345 . . . . 75.23 110.516 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.46 120.81 26.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.661 -0.7 . . . . 64.41 109.953 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 4' ' ' LEU . 38.1 mm -112.63 114.48 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.032 -0.531 . . . . 74.53 110.773 -175.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 90.6 t80 -104.18 124.55 49.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 74.31 109.959 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 mm -91.1 118.85 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 74.35 110.694 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 37.2 mmt180 -74.55 -56.73 4.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.747 -0.66 . . . . 74.24 110.506 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 73.4 tttt -147.85 137.67 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.629 . . . . 75.23 111.172 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 8' ' ' LYS . 61.4 t -113.39 123.49 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.791 -0.818 . . . . 73.34 108.791 170.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -71.8 144.47 88.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.591 -0.277 . . . . 45.54 110.629 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 38.1 Cg_exo -62.45 -22.15 73.68 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.949 2.432 . . . . 73.34 112.287 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -80.24 -18.36 49.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.852 -0.613 . . . . 72.4 109.819 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.06 -43.02 1.54 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.649 -0.705 . . . . 55.25 111.657 -178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.708 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.3 p-10 -155.66 167.94 13.21 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.443 -0.577 . . . . 74.03 109.443 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.708 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 56.6 Cg_endo -70.43 147.59 86.39 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.888 -1.297 . . . . 54.44 113.618 2.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.35 132.16 39.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.345 -0.843 . . . . 63.23 109.048 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -98.5 121.57 40.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.245 . . . . 74.04 110.517 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 39' ' ' ILE . 2.7 mp -120.79 158.37 23.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.712 -0.477 . . . . 62.41 109.712 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -118.93 110.14 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.66 -0.496 . . . . 61.41 109.66 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.591 HG12 ' HG2' ' A' ' 56' ' ' ARG . 45.6 t -130.06 129.16 65.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.232 -0.655 . . . . 64.52 109.232 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.591 ' HG2' HG12 ' A' ' 55' ' ' VAL . 5.0 mmt85 63.98 19.73 11.88 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.195 0.521 . . . . 74.51 110.402 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.28 7.24 87.93 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.938 -0.573 . . . . 63.44 112.031 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 130.16 54.74 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.142 -0.318 . . . . 71.54 110.142 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.08 135.34 42.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.729 -0.471 . . . . 52.14 109.729 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.605 HD13 ' HG2' ' A' ' 31' ' ' MET . 84.6 mt -126.76 135.08 50.6 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.807 -0.633 . . . . 73.23 110.8 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -98.27 106.6 18.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 74.54 109.79 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.628 HD13 ' HE1' ' A' ' 31' ' ' MET . 61.6 tp -106.49 141.94 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.113 0.482 . . . . 54.0 110.532 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 139.26 38.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.775 -0.648 . . . . 73.01 109.817 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 49' ' ' ASP . 23.5 pttm -60.27 -30.76 69.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.507 -0.315 . . . . 70.33 111.312 -175.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 m -60.05 -39.35 85.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 74.44 110.865 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.556 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -76.11 -33.69 59.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.06 0.457 . . . . 74.21 110.573 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.29 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.053 -0.521 . . . . 72.2 111.434 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 11.6 pt-20 -92.48 5.77 49.58 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 62.35 112.087 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.507 ' HE1' ' HG ' ' A' ' 24' ' ' LEU . 21.4 ptm -114.68 14.7 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.306 0.574 . . . . 73.13 110.347 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 66' ' ' ALA . 39.2 mm -116.46 134.94 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 74.22 110.756 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.52 115.39 28.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.965 -0.561 . . . . 65.11 109.593 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.888 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.1 m -132.08 169.66 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.916 0.389 . . . . 50.54 110.824 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.86 166.0 21.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.251 -0.432 . . . . 73.15 110.094 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.482 HD22 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 120.929 0.395 . . . . 74.34 110.98 -177.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.0 t80 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.033 -0.729 . . . . 70.22 109.033 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -76.64 141.16 41.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.545 -0.298 . . . . 75.24 111.057 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 62.6 tp -60.48 -33.01 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 73.53 110.258 176.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.493 ' HD3' ' HA2' ' A' ' 48' ' ' GLY . 0.7 OUTLIER -67.07 -28.76 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 74.3 110.483 177.001 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.62 -13.3 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 75.32 111.059 -173.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 -174.1 2.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.942 -0.572 . . . . 74.02 110.534 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -133.18 170.02 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.515 0.198 . . . . 73.15 110.575 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.6 p -74.58 147.75 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.479 -0.328 . . . . 61.14 110.855 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.51 0.08 88.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.969 -0.634 . . . . 22.13 112.278 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -100.17 143.45 30.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 71.32 110.519 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 m -104.99 111.71 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 72.32 110.337 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.445 HG12 HD13 ' A' ' 74' ' ' LEU . 33.7 m -112.73 160.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.083 -0.508 . . . . 64.4 110.87 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 9.3 ttmt -121.2 134.45 55.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 73.34 109.621 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.566 ' HA ' HG12 ' A' ' 72' ' ' VAL . 47.0 t -70.83 121.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 121.126 -0.23 . . . . 53.11 110.491 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -32.03 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.137 0.421 . . . . 64.24 112.137 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.758 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -138.34 123.94 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.727 -0.389 . . . . 70.25 111.609 -178.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 70' ' ' ILE . 98.9 mt -103.75 102.87 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.544 . . . . 74.12 109.836 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 69' ' ' MET . 26.4 m-70 -78.76 173.14 12.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.876 0.369 . . . . 75.15 110.126 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.632 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 96.81 176.87 35.25 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.271 -0.731 . . . . 44.13 111.271 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -133.3 118.95 19.14 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.164 0.482 . . . . 61.22 111.062 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.07 -90.74 0.09 OUTLIER Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.934 -0.575 . . . . 65.11 113.748 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.14 57.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.097 0.406 . . . . 64.31 112.097 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.55 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 62.52 110.858 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.632 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -59.72 -53.2 60.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.685 -0.689 . . . . 44.24 110.933 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -57.69 -40.3 79.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.717 -0.674 . . . . 72.32 110.885 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.443 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.681 HG22 ' HB ' ' A' ' 33' ' ' ILE . 59.1 mt -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.725 -0.67 . . . . 61.32 111.585 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.537 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 69.3 mtm -66.31 -34.28 77.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.995 0.369 . . . . 75.22 111.995 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.04 -28.36 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 63.34 110.999 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.9 mtm -81.11 -4.14 54.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 72.04 111.054 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.49 -1.24 34.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.067 -0.587 . . . . 63.22 112.112 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.681 ' HB ' HG22 ' A' ' 28' ' ' ILE . 29.7 mt -96.22 102.45 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 74.32 110.986 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.517 ' HA ' HD11 ' A' ' 18' ' ' LEU . 9.0 t -139.11 165.56 26.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.634 -0.506 . . . . 75.24 109.634 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.36 124.86 21.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.309 0.576 . . . . 71.53 110.433 -177.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.54 -31.57 5.9 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.415 -0.811 . . . . 54.4 111.548 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.1 151.82 24.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.792 0.329 . . . . 64.24 110.503 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -102.39 160.98 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 64.43 110.907 179.05 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 33' ' ' ILE . 76.3 mt -135.14 126.47 46.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.554 -0.748 . . . . 60.51 110.004 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 89.0 t80 -89.36 116.24 27.42 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.027 -0.731 . . . . 71.13 109.027 171.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.41 123.19 37.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.972 0.415 . . . . 55.54 111.117 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 14.4 mmt85 -90.34 -57.41 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.828 -0.624 . . . . 74.31 111.326 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 64.1 mmtt -140.71 114.65 9.05 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.16 0.43 . . . . 73.32 112.16 -174.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.0 t -113.64 124.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.558 -0.904 . . . . 71.55 108.558 169.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.49 144.1 93.91 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 120.974 -0.29 . . . . 74.34 110.282 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 53.2 Cg_exo -56.83 -27.73 73.43 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.899 2.399 . . . . 70.25 112.272 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tt -85.12 -44.62 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 71.34 109.642 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.493 ' HA2' ' HD3' ' A' ' 5' ' ' ARG . . . 162.9 -86.85 0.11 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.987 -0.625 . . . . 73.51 112.124 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 6.2 p-10 -84.44 151.24 58.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.518 0.199 . . . . 74.15 110.559 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -88.34 166.33 40.62 Favored 'Cis proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.372 -1.512 . . . . 71.2 112.613 -0.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 49' ' ' ASP . 4.3 mp -117.78 102.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 70.33 109.823 178.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 93.7 mt-30 -89.13 126.99 35.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.852 -0.613 . . . . 71.4 109.887 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 pt -135.74 151.51 29.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.986 -0.552 . . . . 64.33 110.579 -175.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -110.68 110.81 21.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 64.51 109.376 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.63 HG12 ' HG3' ' A' ' 56' ' ' ARG . 38.6 t -114.27 118.6 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 44.34 110.356 -177.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HG3' HG12 ' A' ' 55' ' ' VAL . 36.7 mtp180 69.34 -7.69 0.8 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.662 -0.699 . . . . 74.24 112.124 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.85 -19.43 5.83 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.582 -0.607 . . . . 63.25 111.582 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -90.64 132.68 35.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.11 0.481 . . . . 74.33 110.731 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -90.46 124.0 34.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 73.32 110.231 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.5 156.95 34.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.527 -0.76 . . . . 71.34 110.583 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -127.62 110.72 12.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.69 -0.485 . . . . 72.43 109.69 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.8 mt -106.46 159.36 16.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 74.33 110.785 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -89.67 168.98 11.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.068 -0.514 . . . . 71.34 110.4 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -58.97 -42.2 89.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 61.45 110.785 -176.195 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 m -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.815 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -72.36 -44.98 61.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.047 0.451 . . . . 60.0 111.031 -178.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 4' ' ' LEU . . . -63.52 -33.86 76.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.309 0.576 . . . . 75.31 111.384 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.66 -13.39 51.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.879 -0.601 . . . . 72.13 111.386 -174.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptm -97.33 -1.02 45.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.043 0.449 . . . . 72.43 110.37 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 18' ' ' LEU . 37.0 mm -105.92 126.81 61.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.903 0.382 . . . . 72.22 110.474 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.758 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 2.3 tt0 -97.24 125.29 41.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.693 . . . . 72.14 109.461 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 15' ' ' VAL . 24.6 m -127.07 160.32 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 62.51 111.414 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -104.54 124.8 49.94 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.003 -0.999 . . . . 74.22 109.792 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.445 HD13 HG12 ' A' ' 13' ' ' VAL . 14.0 tp . . . . . 0 C--N 1.31 -1.15 0 N-CA-C 109.686 -0.487 . . . . 65.21 109.686 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.6 t80 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 108.864 -0.791 . . . . 75.24 108.864 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 80.1 p -90.37 172.5 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.97 -0.559 . . . . 15.44 111.179 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.571 HD13 HG11 ' A' ' 72' ' ' VAL . 27.9 tp -64.12 -23.48 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 44.1 110.039 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -83.57 -8.44 59.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.874 -0.603 . . . . 71.43 110.672 177.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -90.5 -11.29 40.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.842 0.353 . . . . 71.23 110.254 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.89 172.2 14.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 72.14 110.279 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 2.9 mptp? -125.01 156.23 38.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.613 -0.267 . . . . 74.3 110.294 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 p -64.15 129.51 40.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 71.01 110.344 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.79 43.63 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.814 -0.708 . . . . 73.42 112.147 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.37 147.93 39.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 60.44 111.227 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -109.07 121.02 44.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.841 -0.618 . . . . 63.54 109.892 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.5 m -120.75 172.5 7.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.287 -0.415 . . . . 71.15 110.301 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 45.1 mtmt -131.83 150.68 52.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.851 0.358 . . . . 71.03 110.457 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.689 ' HB ' ' HA ' ' A' ' 35' ' ' ARG . 38.8 t -80.31 131.17 34.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.801 -0.636 . . . . 74.12 110.496 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.4 m -120.11 -41.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.981 0.363 . . . . 72.15 111.981 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -140.42 139.18 35.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.766 0.317 . . . . 64.25 110.158 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.09 116.4 29.08 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.903 -0.319 . . . . 34.23 110.831 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 69' ' ' MET . 9.2 m-70 -86.67 154.13 21.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.45 -0.574 . . . . 71.22 109.45 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.08 164.04 10.44 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.275 -0.964 . . . . 75.33 112.778 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.28 33.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.876 0.369 . . . . 63.44 111.517 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.27 -64.87 3.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.111 -0.566 . . . . 63.41 112.6 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.61 92.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.62 0.248 . . . . 72.54 111.293 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -61.25 -45.22 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.997 -0.371 . . . . 73.24 109.997 178.208 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -58.66 -47.72 83.48 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.978 -0.556 . . . . 72.24 110.96 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.473 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 1.9 tmt_? -63.13 -36.03 82.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 72.53 110.139 -178.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.02 -41.88 97.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 54.54 110.418 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.516 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 76.0 mt -59.67 -48.97 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 55.1 110.323 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.25 -30.46 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.498 -0.773 . . . . 64.55 111.047 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.94 -35.62 80.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.056 -0.52 . . . . 61.2 111.284 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 65.5 mtm -74.08 -19.73 60.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 73.43 111.25 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.63 -7.81 11.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.944 -0.646 . . . . 23.24 112.366 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.543 HG23 HD11 ' A' ' 39' ' ' ILE . 4.2 mp -83.02 96.41 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.24 0.543 . . . . 63.34 110.084 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 p -118.31 161.16 20.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.686 -0.688 . . . . 53.24 110.1 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 16.2 ptt180 -64.52 141.24 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 73.21 110.537 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.66 -10.53 70.68 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.92 -0.657 . . . . 64.11 112.5 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.51 143.8 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.846 0.355 . . . . 64.13 110.838 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 1.1 mp0 -84.86 130.9 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.631 -0.713 . . . . 73.5 110.543 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.788 HG12 HG22 ' A' ' 55' ' ' VAL . 49.9 mt -120.53 115.07 45.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.895 -0.593 . . . . 75.21 110.016 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 88.6 t80 -93.87 121.57 35.47 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 73.15 109.849 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.2 mm -75.4 102.13 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.784 -0.821 . . . . 73.42 108.784 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.65 ' HD3' ' HG2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -89.61 -54.44 4.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.073 -0.512 . . . . 74.02 111.029 -170.787 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.65 ' HG2' ' HD3' ' A' ' 42' ' ' ARG . 73.5 mmtt -137.61 140.48 40.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 74.44 111.228 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.24 116.26 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.907 -0.775 . . . . 65.02 108.907 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -64.56 143.15 98.58 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 55.13 111.208 -176.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 12.0 Cg_exo -70.61 79.47 1.21 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.035 2.49 . . . . 73.11 111.63 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 tt -179.26 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.194 -1.039 . . . . 75.34 108.194 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.02 -30.31 2.96 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.043 -0.981 . . . . 72.42 111.268 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.7 p-10 -148.59 157.44 41.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.436 -0.579 . . . . 70.54 109.436 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 69.1 Cg_endo -86.28 170.29 42.44 Favored 'Cis proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.44 -1.483 . . . . 71.33 112.901 -0.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -96.25 116.63 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.847 -0.797 . . . . 74.14 108.847 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB3' ' HB2' ' A' ' 43' ' ' LYS . 35.7 tt0 -89.37 112.82 24.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.286 0.565 . . . . 74.42 109.864 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.598 HD11 HD23 ' A' ' 62' ' ' LEU . 33.1 pt -121.35 161.23 21.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 65.5 111.461 -173.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 9.2 m120 -111.36 110.96 21.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 72.15 110.066 174.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.788 HG22 HG12 ' A' ' 39' ' ' ILE . 28.9 t -125.81 135.72 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.354 -0.61 . . . . 52.53 109.354 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmt85 67.5 -70.95 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.8 0.687 . . . . 60.55 110.316 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.61 21.78 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.644 -0.982 . . . . 53.11 110.644 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -119.72 154.97 33.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.881 0.372 . . . . 61.54 111.443 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.4 110.53 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.524 -0.917 . . . . 75.11 108.524 167.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD12 ' HB ' ' A' ' 55' ' ' VAL . 97.3 mt -113.59 150.19 33.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.778 0.323 . . . . 71.01 110.955 -175.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 p -113.98 110.78 20.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 54.12 110.663 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 53' ' ' ILE . 2.5 mm? -107.15 133.54 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.869 -0.605 . . . . 64.3 110.135 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 63' ' ' ARG . 0.2 OUTLIER -73.58 150.61 41.32 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.796 -0.361 . . . . 73.31 110.028 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -60.79 -31.75 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.437 -0.347 . . . . 70.23 110.39 -177.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -61.66 -43.07 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 72.14 110.839 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.96 -39.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.041 0.448 . . . . 45.15 110.53 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.2 77.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 72.21 111.583 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 11.8 pt-20 -79.85 4.2 17.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.939 0.348 . . . . 72.33 111.939 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 16.2 ptm -125.11 8.48 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 74.33 110.619 175.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 3' ' ' SER . 76.5 mt -98.27 117.56 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.501 -0.555 . . . . 54.44 109.501 173.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -82.84 121.38 26.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.595 -0.521 . . . . 63.43 109.595 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG11 HD13 ' A' ' 4' ' ' LEU . 28.6 m -125.53 166.39 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 73.44 112.076 -176.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -128.85 149.39 50.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.069 -0.969 . . . . 73.3 109.406 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.614 0.721 . . . . 55.4 112.548 -172.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.849 ' HZ ' HD23 ' A' ' 74' ' ' LEU . 60.0 t80 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.315 -0.624 . . . . 72.42 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.408 ' OG ' ' HB3' ' A' ' 5' ' ' ARG . 80.5 p -118.01 -177.33 3.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.727 -0.67 . . . . 63.05 110.759 -176.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 53' ' ' ILE . 21.2 tp -66.18 -18.86 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.514 0.673 . . . . 74.35 109.637 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HB3' ' OG ' ' A' ' 3' ' ' SER . 3.0 tpm_? -70.16 -34.99 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 63.12 110.623 176.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -88.77 -18.2 28.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.922 -0.581 . . . . 64.34 111.6 -174.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.546 -0.297 . . . . 74.34 111.452 -177.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -119.07 161.4 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 71.33 111.25 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.514 ' HB3' HG23 ' A' ' 44' ' ' VAL . 9.4 p -73.6 146.97 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 65.44 110.362 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.8 -14.23 65.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.94 -0.648 . . . . 54.12 111.613 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -94.04 158.95 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 72.34 110.354 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -119.12 119.72 35.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.973 -0.558 . . . . 75.1 109.927 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.64 HG12 HD22 ' A' ' 74' ' ' LEU . 31.8 m -120.72 171.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.09 -0.505 . . . . 74.31 109.933 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -129.51 135.0 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.284 -0.265 . . . . 53.55 110.284 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.689 HG21 HG23 ' A' ' 33' ' ' ILE . 61.9 t -75.77 117.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 63.23 110.196 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.31 -29.68 2.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.911 0.708 . . . . 72.41 112.911 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 77.4 tttt -141.74 139.37 32.83 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.727 0.299 . . . . 73.35 110.346 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.95 113.55 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.381 -0.372 . . . . 63.14 110.556 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.17 168.99 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.259 -0.428 . . . . 72.23 110.334 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.88 173.81 17.45 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.739 -0.743 . . . . 64.34 112.068 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -76.15 -79.02 0.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.775 0.321 . . . . 72.12 111.356 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.51 -55.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.89 -0.671 . . . . 70.3 111.594 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.28 -32.93 73.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.627 0.251 . . . . 74.54 110.857 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.1 mm? -63.23 -50.47 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 64.21 110.358 176.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 47.0 mtpt -56.52 -53.34 58.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 72.52 110.758 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.686 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 94.9 mtt180 -65.42 -34.36 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.541 . . . . 74.45 112.142 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -56.45 -42.95 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.203 0.525 . . . . 74.22 110.202 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.634 HG22 ' HB ' ' A' ' 33' ' ' ILE . 77.1 mt -77.2 -52.3 16.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.399 -0.819 . . . . 74.54 111.439 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.686 ' HG3' ' HA ' ' A' ' 26' ' ' ARG . 4.8 ppp? -64.34 -30.5 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.022 -0.535 . . . . 71.04 111.741 -174.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.67 -21.67 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 74.01 111.152 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.52 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 69.5 mtm -89.34 7.01 37.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 70.43 111.191 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 -1.12 37.32 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.477 -0.868 . . . . 52.51 112.45 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 15' ' ' VAL . 24.0 mm -86.57 73.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.106 0.479 . . . . 72.42 109.791 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 35' ' ' ARG . 35.2 p -101.76 22.79 12.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.446 0.536 . . . . 75.12 112.446 -170.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 34' ' ' THR . 63.7 ttt180 71.46 118.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.734 0.646 . . . . 75.55 110.556 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.28 18.2 37.17 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.946 -0.862 . . . . 43.45 110.946 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 33' ' ' ILE . 5.4 p -109.17 132.5 54.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.214 -0.493 . . . . 71.33 110.035 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 139.24 38.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.177 0.513 . . . . 73.12 110.905 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 53' ' ' ILE . 45.5 mm -115.41 114.71 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.287 -0.87 . . . . 63.01 110.422 -177.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.702 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t80 -92.62 100.78 13.23 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.695 -0.854 . . . . 71.43 108.695 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.502 ' HA ' HG22 ' A' ' 53' ' ' ILE . 21.8 mt -71.92 105.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.051 0.453 . . . . 74.22 109.906 -177.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 42' ' ' ARG . 12.3 tpp85 -80.96 -55.19 4.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.69 -0.686 . . . . 62.42 111.832 -172.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.2 138.15 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.741 -0.384 . . . . 63.02 111.558 -168.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.514 HG23 ' HB3' ' A' ' 9' ' ' CYS . 60.6 t -115.83 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.563 -0.532 . . . . 75.31 109.563 175.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.78 146.51 95.66 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.384 -0.371 . . . . 64.41 111.283 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 36.5 Cg_exo -61.66 -16.38 48.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.395 2.73 . . . . 54.43 113.091 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.4 mt -85.83 0.37 53.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.563 . . . . 74.51 110.14 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.15 -32.11 7.5 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.515 -0.766 . . . . 71.23 111.278 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.801 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 18.9 p-10 -155.68 167.52 14.06 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.898 -0.779 . . . . 63.33 108.898 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.801 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.3 Cg_endo -73.71 153.93 99.37 Favored 'Cis proline' 0 C--O 1.235 0.329 0 C-N-CA 123.209 -1.579 . . . . 72.41 112.805 2.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.2 mt -94.23 110.9 24.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.57 -0.9 . . . . 73.44 108.57 174.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -85.89 112.43 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.547 -0.751 . . . . 72.4 109.675 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 39' ' ' ILE . 39.2 pt -120.79 150.33 23.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.065 0.459 . . . . 73.33 110.777 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.702 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 13.3 m120 -96.88 110.34 22.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 51.23 110.47 178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.632 HG12 ' HG2' ' A' ' 56' ' ' ARG . 64.7 t -113.94 117.67 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.285 -0.871 . . . . 60.31 109.548 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.632 ' HG2' HG12 ' A' ' 55' ' ' VAL . 6.3 mmm180 65.09 10.55 6.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.339 -0.846 . . . . 75.51 111.001 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.13 40.37 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 64.11 112.343 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 93.2 m-85 -98.17 156.69 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.61 0.205 . . . . 74.24 110.662 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 54' ' ' ASN . 24.4 mp0 -102.98 115.99 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.813 -0.44 . . . . 72.1 109.813 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 31' ' ' MET . 2.4 pp -133.21 154.59 50.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.087 -0.338 . . . . 72.54 110.087 177.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.666 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 14.0 m -107.57 134.73 50.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 61.13 112.281 -171.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -112.56 142.02 45.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.793 -0.639 . . . . 73.02 110.31 173.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -78.79 159.71 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.655 -0.498 . . . . 64.34 109.655 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HD2' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -57.57 -38.39 74.75 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 111.609 0.225 . . . . 60.11 111.609 -175.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 48.7 m -73.43 -35.6 65.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 42.3 111.017 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.88 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 33.55 110.787 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.04 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.366 0.603 . . . . 73.22 110.948 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -74.81 -17.32 60.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.146 -0.934 . . . . 65.4 110.904 -175.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.5 mmt -81.48 -10.2 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.255 0.55 . . . . 64.23 110.072 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.6 mt -98.18 106.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 74.3 111.048 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 14.2 tp10 -77.3 117.73 19.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 65.01 109.15 176.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 35.1 m -123.64 179.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.171 0.51 . . . . 72.22 111.85 -175.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.08 144.88 23.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.15 -0.932 . . . . 71.23 109.054 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.849 HD23 ' HZ ' ' A' ' 2' ' ' PHE . 1.2 mm? . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 60.0 110.884 -177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 t80 . . . . . 0 C--O 1.235 0.336 0 N-CA-C 108.74 -0.837 . . . . 74.55 108.74 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.684 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 6.1 m -96.2 159.3 15.03 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.791 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.997 HD23 HG11 ' A' ' 72' ' ' VAL . 2.3 tm? -61.11 -39.46 90.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.771 -0.826 . . . . 71.15 108.771 174.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.592 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 37.9 ttp180 -44.8 -26.74 0.43 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.3 -1.318 . . . . 55.24 112.25 171.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -100.09 -0.55 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.475 -0.33 . . . . 73.13 111.762 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.38 150.93 39.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 74.24 110.709 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -99.5 165.18 11.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 64.05 111.321 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.5 p -78.62 26.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.674 -0.694 . . . . 72.23 112.539 -173.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.34 19.55 0.93 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.934 -0.651 . . . . 44.53 111.672 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -115.45 143.06 45.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.702 0.287 . . . . 74.11 110.912 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -89.27 118.49 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.449 -0.574 . . . . 53.54 109.449 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.7 HG21 HD21 ' A' ' 4' ' ' LEU . 27.5 m -114.18 150.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.09 0.472 . . . . 54.11 110.631 -177.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 30.4 ttpt -128.89 119.33 24.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.898 -0.592 . . . . 73.02 109.63 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.4 t -73.53 128.76 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 62.11 109.734 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 71' ' ' GLU . 11.0 m -114.62 -40.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.39 -0.524 . . . . 74.23 112.14 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.669 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 17.5 ttpt -140.55 151.78 45.01 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.021 -0.272 . . . . 74.31 110.52 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 70' ' ' ILE . 94.4 mt -123.61 114.8 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 110.117 -0.327 . . . . 63.35 110.117 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -89.04 167.95 12.74 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.485 -0.561 . . . . 71.44 109.485 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.54 -177.82 18.92 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.465 -0.874 . . . . 53.44 112.668 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -89.07 31.04 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.467 0.651 . . . . 73.24 110.935 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA2' ' HD2' ' A' ' 25' ' ' LYS . . . 79.58 -59.67 4.39 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.804 -0.634 . . . . 74.4 113.519 175.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.4 -38.32 74.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 62.01 111.138 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 28' ' ' ILE . 2.0 tm? -75.6 -46.19 33.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.088 -0.506 . . . . 73.12 110.455 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -67.05 -30.4 70.45 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 74.02 111.586 -176.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -72.8 -38.29 67.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.362 . . . . 75.22 110.089 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -57.27 -36.73 71.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.867 -0.606 . . . . 71.01 110.328 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.633 HG22 ' HB ' ' A' ' 33' ' ' ILE . 64.2 mt -63.95 -49.13 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.694 -0.685 . . . . 64.13 110.629 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.749 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 70.9 mtm -67.9 -33.64 75.1 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 55.43 111.283 -178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.66 -23.94 66.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 73.43 111.017 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.561 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 68.7 mtm -87.52 -23.25 24.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 74.34 111.36 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.4 -29.56 2.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.962 -0.637 . . . . 61.03 112.188 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.885 ' HA ' HG21 ' A' ' 55' ' ' VAL . 4.5 mp -74.2 96.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.119 0.485 . . . . 52.12 110.133 -177.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.749 ' HA ' ' HG2' ' A' ' 29' ' ' MET . 13.7 p -112.08 174.32 5.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.937 -0.574 . . . . 60.13 111.266 -175.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -78.88 121.09 24.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.887 0.375 . . . . 72.15 110.023 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.43 7.95 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.072 -0.585 . . . . 61.31 112.005 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HA ' ' NH1' ' A' ' 56' ' ' ARG . 23.2 p -115.44 154.12 29.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.258 -0.275 . . . . 72.43 110.258 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -96.78 132.26 42.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.584 . . . . 53.22 109.728 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.632 HD11 HG23 ' A' ' 33' ' ' ILE . 63.3 mt -133.32 133.84 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.235 0.54 . . . . 73.13 110.508 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -102.27 122.13 43.61 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.93 -0.577 . . . . 70.3 109.576 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.417 HD11 HD21 ' A' ' 4' ' ' LEU . 43.4 mm -79.99 117.83 26.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.582 -0.525 . . . . 64.34 109.582 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -90.39 -47.79 7.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.439 -175.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -156.27 146.37 21.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 75.14 111.181 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.16 125.43 74.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.165 -0.68 . . . . 62.41 109.165 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.4 145.65 95.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.555 -0.293 . . . . 44.44 111.098 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.54 -28.86 88.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.026 2.484 . . . . 53.24 113.076 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.809 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.7 pt? -91.87 -1.16 57.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.132 0.491 . . . . 72.42 110.691 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.31 -71.74 0.32 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 121.048 -0.596 . . . . 71.22 111.798 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.721 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 4.0 p-10 -117.73 163.63 23.29 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.172 -0.307 . . . . 72.53 110.172 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.721 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 1.5 Cg_endo -83.98 145.69 49.56 Favored 'Cis proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.881 -1.3 . . . . 61.21 112.917 0.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -93.96 125.29 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.265 -0.643 . . . . 72.13 109.265 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -81.27 111.23 17.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.808 -0.442 . . . . 63.04 109.808 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.11 152.0 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.295 -0.411 . . . . 72.51 111.14 -176.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 43.4 t-20 -122.43 110.25 15.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.39 -0.596 . . . . 71.32 109.39 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.885 HG21 ' HA ' ' A' ' 33' ' ' ILE . 8.8 p -108.08 127.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.733 -0.667 . . . . 72.23 110.725 -175.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' HG2' HG22 ' A' ' 55' ' ' VAL . 28.1 mmt180 62.36 -84.86 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.288 -0.634 . . . . 72.43 109.288 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.94 34.56 1.02 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.457 -1.057 . . . . 75.35 110.457 172.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.418 ' HE2' HD21 ' A' ' 60' ' ' LEU . 2.9 t80 -131.52 129.22 40.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.831 -0.433 . . . . 73.51 109.831 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -105.71 119.27 38.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.396 0.617 . . . . 73.14 111.331 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.418 HD21 ' HE2' ' A' ' 58' ' ' TYR . 63.4 mt -132.25 171.42 13.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.356 -0.838 . . . . 73.11 110.859 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.8 m -98.64 126.73 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 70.45 109.788 171.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.4 tp -104.72 148.0 27.06 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.636 -0.505 . . . . 72.21 109.636 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -83.96 158.46 21.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.22 0.533 . . . . 71.24 111.168 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 85.8 tttt -62.7 -48.76 77.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.927 -1.033 . . . . 63.43 110.747 -178.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 69' ' ' MET . 12.0 p -65.6 -42.3 91.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 62.44 110.693 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -62.89 -41.75 99.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 43.43 110.58 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.4 68.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 73.34 111.958 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.684 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 14.1 pt-20 -98.06 -2.15 40.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.443 -0.503 . . . . 75.3 111.309 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 65' ' ' SER . 66.2 mtt -97.18 -9.55 27.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 52.41 110.155 174.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 66' ' ' ALA . 71.4 mt -91.23 121.84 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.138 -0.483 . . . . 65.4 111.075 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.669 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 3.7 tt0 -80.37 112.57 17.83 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.712 -0.847 . . . . 55.43 108.712 172.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.997 HG11 HD23 ' A' ' 4' ' ' LEU . 19.5 m -120.82 162.04 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.392 0.615 . . . . 73.42 112.062 -177.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.32 130.0 56.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.868 -1.06 . . . . 73.2 109.034 173.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.316 -0.877 0 N-CA-C 108.141 -1.059 . . . . 63.3 108.141 176.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.925 0.393 . . . . 74.31 110.441 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -109.38 112.97 25.39 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.762 -0.829 . . . . 74.01 108.762 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.418 ' HB2' ' HG3' ' A' ' 5' ' ' ARG . 1.9 m -105.3 176.15 5.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.984 -0.553 . . . . 64.43 110.38 -175.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.571 HD13 HG11 ' A' ' 72' ' ' VAL . 44.6 tp -67.48 -26.76 66.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.156 0.503 . . . . 63.44 110.188 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.418 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 7.0 ppt_? -79.57 -6.43 57.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 74.52 111.336 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -88.69 -5.97 57.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 64.32 110.376 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.11 151.1 22.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 72.34 110.462 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -98.9 149.53 22.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 65.44 109.995 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.431 ' HB3' HG23 ' A' ' 44' ' ' VAL . 1.5 p -69.69 110.65 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.295 0.569 . . . . 72.52 110.358 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.02 -9.69 6.68 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.387 -0.824 . . . . 51.22 111.279 -173.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.697 ' HB3' HD21 ' A' ' 74' ' ' LEU . 97.2 mt-30 -101.01 165.71 11.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 54.04 110.824 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -118.05 121.02 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 72.31 110.449 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 39' ' ' ILE . 27.9 m -116.97 164.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.041 0.448 . . . . 64.12 110.668 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -133.49 137.49 45.68 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.85 -0.614 . . . . 65.41 110.038 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' A' ' 72' ' ' VAL . 44.1 t -77.09 131.06 35.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.992 -0.549 . . . . 74.25 110.737 -176.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.544 HG23 ' HG2' ' A' ' 71' ' ' GLU . 4.6 m -115.62 -58.13 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.391 -0.368 . . . . 74.41 110.992 176.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 99.1 mttt -118.02 160.5 21.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 74.42 110.638 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -130.78 110.12 11.1 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.249 -0.648 . . . . 73.24 109.249 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.623 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 61.0 m-70 -86.83 163.65 17.1 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.003 -0.369 . . . . 64.53 110.003 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.51 178.0 15.45 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.625 -0.798 . . . . 72.45 112.59 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 p -81.27 31.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.212 0.449 . . . . 75.23 112.212 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.94 -61.36 4.33 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.896 -0.669 . . . . 74.52 112.636 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.37 -37.32 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.957 0.408 . . . . 74.44 111.171 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 28' ' ' ILE . 59.4 tp -62.74 -43.51 98.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 63.32 110.085 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.2 -42.04 94.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.994 -0.548 . . . . 74.22 110.206 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -61.21 -42.57 98.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.556 -0.747 . . . . 75.34 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -64.11 -45.65 87.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 61.44 110.278 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.536 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 88.5 mt -58.56 -50.21 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.864 -0.607 . . . . 64.14 111.217 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 71.2 mtm -67.76 -30.62 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.665 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.75 -35.14 78.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 72.31 110.818 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.536 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 66.5 mtm -74.12 -17.68 60.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.943 -0.571 . . . . 53.13 111.353 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.21 -20.33 7.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.781 . . . . 64.11 112.321 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' A' ' 28' ' ' ILE . 21.9 mm -69.87 102.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.344 -0.613 . . . . 72.1 109.344 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 p -126.75 156.31 41.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.25 -0.432 . . . . 72.21 112.136 -170.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -67.4 106.4 2.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.027 -0.533 . . . . 73.33 110.397 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.27 -26.22 5.84 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.032 -0.604 . . . . 74.03 112.51 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.9 p -71.71 144.37 49.33 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.991 0.396 . . . . 71.03 110.283 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -88.33 141.33 28.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.859 -0.609 . . . . 71.51 109.919 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.574 HG12 HG22 ' A' ' 55' ' ' VAL . 54.2 mt -124.46 116.27 47.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 54.01 110.262 -178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -91.05 108.75 20.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.777 -0.823 . . . . 73.12 108.777 174.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.421 ' HA ' HG22 ' A' ' 53' ' ' ILE . 13.5 mm -68.53 113.51 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.591 -0.522 . . . . 64.4 109.591 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -88.99 -56.42 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.178 -0.465 . . . . 63.43 111.113 -171.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . 58.1 tptt -147.92 123.64 10.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.791 0.329 . . . . 73.11 111.041 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 9' ' ' CYS . 58.5 t -108.97 121.19 61.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.518 -0.549 . . . . 75.45 109.518 175.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.27 145.55 98.63 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 73.05 110.728 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 -19.45 65.66 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.013 2.475 . . . . 72.53 112.685 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.2 -10.96 59.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.283 0.563 . . . . 72.32 110.137 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.33 -19.25 55.11 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.492 -0.776 . . . . 74.31 111.393 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' HD2' ' A' ' 63' ' ' ARG . 31.7 t70 -144.63 141.74 18.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.424 -0.388 . . . . 62.34 110.119 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -90.96 171.32 24.89 Favored 'Cis proline' 0 N--CA 1.459 -0.51 0 C-N-CA 123.508 -1.455 . . . . 62.31 112.718 -2.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG22 HG23 ' A' ' 53' ' ' ILE . 65.2 mt -107.7 117.39 53.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.165 -0.47 . . . . 72.54 110.568 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 43' ' ' LYS . 2.2 mp0 -84.34 121.49 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 71.34 109.962 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.499 HG23 HG22 ' A' ' 51' ' ' ILE . 24.4 pt -135.72 151.31 29.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.011 -0.54 . . . . 73.23 110.632 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 44.7 t-20 -110.53 112.1 23.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.374 -0.602 . . . . 73.05 109.374 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 56' ' ' ARG . 43.1 t -129.98 130.99 66.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 75.43 110.223 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.773 ' HG2' HG12 ' A' ' 55' ' ' VAL . 28.3 mmt180 62.73 15.68 8.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.079 -0.509 . . . . 63.41 111.501 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.92 -7.01 60.48 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.934 -0.651 . . . . 73.14 112.202 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -101.14 128.39 47.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.675 -0.491 . . . . 75.35 109.675 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 32.4 tt0 -103.49 114.67 29.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.523 0.678 . . . . 72.32 109.304 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 pp -139.98 174.89 10.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.194 -0.912 . . . . 74.52 111.344 -171.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.7 m -107.92 124.05 49.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.802 -0.635 . . . . 74.25 109.966 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.4 tp -106.37 134.55 49.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.39 -0.596 . . . . 74.34 109.39 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HD2' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -65.52 137.35 57.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.956 -0.565 . . . . 72.31 110.249 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.89 61.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 51.34 110.69 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -52.87 -46.16 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 62.15 110.661 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.09 -44.34 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 54.22 110.683 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.34 -31.61 65.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.186 0.517 . . . . 75.31 111.63 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -79.24 -10.96 59.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.706 -0.679 . . . . 75.25 110.982 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.623 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -109.91 -19.25 13.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.058 0.456 . . . . 71.11 110.901 -177.287 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.507 HG22 HG13 ' A' ' 72' ' ' VAL . 74.5 mt -75.84 134.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 71.51 110.965 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.544 ' HG2' HG23 ' A' ' 16' ' ' VAL . 3.2 tt0 -99.22 112.86 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 74.54 110.072 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG11 HD13 ' A' ' 4' ' ' LEU . 29.3 m -126.55 170.77 16.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.528 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.33 136.54 53.58 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.055 -0.52 . . . . 75.24 110.162 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 11' ' ' GLN . 1.2 tm? -80.24 92.98 5.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.298 -1.001 . . . . 73.34 108.298 174.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -77.26 110.99 12.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.186 0.517 . . . . 72.32 110.523 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -112.84 90.94 3.48 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.56 -0.746 . . . . 72.55 109.857 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -106.65 162.89 13.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.133 -0.691 . . . . 73.21 109.133 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -100.12 162.08 13.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.47 -0.492 . . . . 65.24 110.747 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -96.27 150.38 20.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.933 -0.576 . . . . 72.24 109.821 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -159.01 175.2 13.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.215 -0.291 . . . . 65.31 110.215 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 34.7 m80 . . . . . 0 C--O 1.243 0.761 0 CA-C-O 118.462 -0.78 . . . . 64.02 109.893 175.494 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HE1' ' O ' ' A' ' 68' ' ' GLU . 23.4 ptm . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.619 0.247 . . . . 75.12 110.436 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -118.87 104.56 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.441 -0.577 . . . . 52.45 109.441 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 85.0 p -97.07 173.87 7.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.324 -0.398 . . . . 60.12 110.277 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.603 HD13 HG11 ' A' ' 72' ' ' VAL . 23.9 tp -65.33 -19.07 65.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.392 0.615 . . . . 52.04 110.018 177.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -74.36 -23.87 59.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.161 -0.927 . . . . 62.33 111.31 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.32 -12.41 58.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.55 -175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.22 148.53 29.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.97 0.414 . . . . 62.24 110.91 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB2' ' OE1' ' A' ' 11' ' ' GLN . 35.3 mmtp -101.54 170.8 7.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 72.22 110.852 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.64 103.68 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.784 -0.644 . . . . 72.41 111.442 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.64 -24.48 6.44 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.819 -0.628 . . . . 72.43 112.123 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 10.4 mp0 -71.48 124.62 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.745 0.307 . . . . 70.52 110.591 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -99.19 110.48 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.287 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.424 HG12 HD13 ' A' ' 74' ' ' LEU . 33.2 m -113.38 170.47 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.07 -0.514 . . . . 65.31 110.379 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 5.7 tmmm? -130.6 128.36 40.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.8 -0.445 . . . . 75.3 109.8 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.697 HG23 HD13 ' A' ' 39' ' ' ILE . 78.7 t -70.49 127.8 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 71.14 110.844 -177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.17 -35.7 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.49 . . . . 64.33 112.142 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 35.5 ttpt -141.45 148.84 40.17 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.883 0.373 . . . . 64.33 110.132 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -120.14 117.65 28.47 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.952 -0.388 . . . . 72.21 109.952 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -73.43 -31.39 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.872 -0.603 . . . . 55.14 111.137 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.615 ' HA3' ' HB3' ' A' ' 24' ' ' LEU . . . -56.22 123.23 30.58 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.873 -0.68 . . . . 75.11 111.86 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -70.8 85.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.353 0.596 . . . . 54.23 111.783 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.676 ' O ' ' HG3' ' A' ' 25' ' ' LYS . . . 72.16 -75.32 0.79 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.085 -0.961 . . . . 50.4 114.113 172.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.14 79.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.1 0.476 . . . . 70.15 110.935 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.615 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . 1.7 tm? -68.63 -41.21 79.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.956 -0.566 . . . . 62.13 110.211 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -70.41 -27.68 64.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 41.11 110.939 -176.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -77.46 -36.34 52.99 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.503 -0.554 . . . . 63.13 109.503 177.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -58.04 -45.28 87.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.719 -0.673 . . . . 74.02 110.689 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.464 HD13 HG12 ' A' ' 70' ' ' ILE . 52.6 mt -57.95 -40.68 77.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.213 0.53 . . . . 65.34 110.378 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.07 -30.34 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 71.21 110.898 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.89 -31.46 72.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 71.23 111.574 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -79.72 -12.88 59.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.971 -0.291 . . . . 72.53 111.033 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.61 4.65 28.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.484 -0.865 . . . . 72.51 112.895 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.2 mp -104.92 114.9 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.928 -0.397 . . . . 54.12 109.928 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -139.17 170.05 16.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.805 0.336 . . . . 65.24 110.281 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -63.13 131.42 48.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.013 -0.54 . . . . 65.32 111.102 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.4 -17.36 47.27 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.712 -0.676 . . . . 65.3 112.351 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.0 m -88.41 154.34 20.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.37 . . . . 73.4 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.49 128.14 45.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.564 . . . . 63.22 110.516 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.697 HD13 HG23 ' A' ' 15' ' ' VAL . 4.5 mp -125.06 122.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 64.32 109.856 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 30.3 p90 -114.89 135.91 53.68 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.535 -0.543 . . . . 74.02 109.535 172.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 mm -75.74 138.39 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.94 -0.573 . . . . 75.1 110.751 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -87.77 -53.29 4.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.943 -0.571 . . . . 61.32 109.907 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.05 139.34 22.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 72.2 110.689 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.9 t -116.46 111.73 36.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.023 -0.732 . . . . 54.02 109.023 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 143.57 91.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.53 -0.305 . . . . 52.32 110.563 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.66 -9.16 23.42 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.843 2.362 . . . . 74.24 112.972 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.1 mt -87.46 -10.89 50.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 71.44 109.896 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.43 -30.19 9.54 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.261 -0.736 . . . . 73.12 111.261 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.579 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 2.2 p-10 -151.47 161.33 29.97 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 109.044 -0.725 . . . . 72.14 109.044 175.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.579 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 78.1 Cg_endo -78.41 159.46 92.32 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.417 -1.493 . . . . 64.41 113.138 -0.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.7 mt -102.97 113.89 41.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.419 -0.809 . . . . 73.22 109.626 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -87.82 119.49 28.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.514 -0.55 . . . . 73.12 109.514 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.522 HD11 ' HB2' ' A' ' 60' ' ' LEU . 2.8 pp -121.12 155.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.594 0.235 . . . . 74.5 110.931 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -116.84 108.89 16.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.872 -0.418 . . . . 72.2 109.872 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.841 HG12 ' HG2' ' A' ' 56' ' ' ARG . 26.4 t -141.93 140.24 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.378 -0.601 . . . . 62.5 109.378 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.841 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.2 mmm180 65.29 17.01 10.84 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.328 0.392 . . . . 73.34 110.731 177.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 -2.92 87.37 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.975 -0.631 . . . . 44.01 112.267 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.563 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 96.2 m-85 -98.89 142.84 29.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.754 -0.263 . . . . 74.13 110.955 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.08 109.98 21.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.843 -0.799 . . . . 74.13 108.843 167.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.522 ' HB2' HD11 ' A' ' 53' ' ' ILE . 90.7 mt -114.69 132.32 56.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.073 0.463 . . . . 64.33 111.539 -172.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -84.58 106.5 16.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.323 -0.853 . . . . 72.53 109.17 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -105.93 134.66 48.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.925 0.393 . . . . 75.15 110.059 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.475 ' HD3' ' H ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.093 -0.503 . . . . 65.04 109.832 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' CG ' ' HB3' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -56.87 -27.72 60.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.012 -0.54 . . . . 74.3 111.622 -178.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.461 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 5.6 m -58.55 -44.41 89.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 73.13 110.672 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.53 -37.78 59.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.618 176.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . -60.73 -30.83 70.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.057 -0.52 . . . . 50.41 111.539 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 41.5 mt-10 -64.36 -34.09 77.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.183 0.516 . . . . 75.44 110.788 176.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 54.4 mtt -87.23 0.6 55.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 74.14 111.186 -174.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.538 HG22 HG13 ' A' ' 72' ' ' VAL . 59.8 mt -98.58 109.69 24.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.919 0.39 . . . . 74.31 110.647 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.8 tp10 -83.7 112.1 19.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.914 -0.773 . . . . 71.35 108.914 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.603 HG11 HD13 ' A' ' 4' ' ' LEU . 29.8 m -119.69 161.14 19.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.186 0.517 . . . . 74.52 111.24 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -123.2 133.62 54.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.341 -0.845 . . . . 72.42 109.263 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.469 HD12 ' H ' ' A' ' 75' ' ' GLU . 20.9 tp -102.97 141.21 36.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.461 -0.336 . . . . 51.33 110.395 -175.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.469 ' H ' HD12 ' A' ' 74' ' ' LEU . 10.1 tp10 -60.82 130.71 47.85 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.938 -0.574 . . . . 72.13 110.698 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 37.6 m80 59.08 74.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.914 0.759 . . . . 63.02 110.8 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -108.66 154.87 21.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.084 -0.962 . . . . 74.14 110.299 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 64.65 21.86 12.49 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.735 0.647 . . . . 73.33 109.56 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -84.15 92.43 7.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.376 -0.829 . . . . 75.25 110.614 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -103.1 89.18 3.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.467 -0.568 . . . . 73.11 109.467 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.248 -0.882 . . . . 73.01 109.599 -179.748 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG3' ' OE1' ' A' ' 71' ' ' GLU . 23.1 ttt . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.688 0.28 . . . . 54.24 110.425 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.527 ' HZ ' HD23 ' A' ' 74' ' ' LEU . 25.8 t80 -98.89 92.61 5.61 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.597 -0.89 . . . . 62.43 108.597 176.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 27.2 p -86.73 159.45 19.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.072 -0.513 . . . . 72.34 111.197 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.597 ' CD1' HG21 ' A' ' 13' ' ' VAL . 52.5 tp -63.61 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.725 -0.67 . . . . 74.01 110.62 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HG2' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -71.23 -33.38 69.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.709 -0.678 . . . . 74.31 110.073 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.97 -30.82 70.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.124 -0.489 . . . . 74.34 111.464 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 159.57 30.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.783 0.325 . . . . 61.25 110.802 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -108.24 -178.67 3.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.77 0.319 . . . . 73.33 110.615 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.4 m -68.77 144.43 54.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 53.14 110.956 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' HA2' ' CE1' ' A' ' 40' ' ' TYR . . . 87.52 2.11 82.68 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.961 -0.637 . . . . 62.54 113.081 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.26 149.69 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.175 0.512 . . . . 74.32 110.988 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.4 m -103.93 114.65 29.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.423 -0.808 . . . . 54.41 110.455 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.597 HG21 ' CD1' ' A' ' 4' ' ' LEU . 29.5 m -114.93 134.59 57.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 70.14 111.212 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -94.87 134.66 37.27 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.165 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.722 HG21 HG23 ' A' ' 33' ' ' ILE . 24.3 t -77.77 114.59 18.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 75.02 110.53 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 m -115.01 -47.86 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 112.283 0.475 . . . . 65.12 112.283 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.849 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 94.9 mttt -133.01 151.75 52.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.339 0.59 . . . . 74.24 111.198 -176.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.3 mt -127.37 107.83 10.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.614 -0.721 . . . . 72.03 109.649 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -87.2 -3.84 59.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 73.4 111.022 -175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.14 166.36 52.57 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.919 -0.582 . . . . 70.22 112.982 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.5 p -76.54 176.24 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.226 0.21 . . . . 55.0 110.829 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.61 -43.33 94.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.226 -0.511 . . . . 74.53 113.372 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 72.34 111.093 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 28' ' ' ILE . 4.6 mm? -64.51 -49.2 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 53.02 110.452 178.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' THR . 14.0 ttmt -53.99 -49.84 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.66 -0.7 . . . . 73.43 111.109 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -56.41 -47.34 79.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 72.22 111.357 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 31' ' ' MET . 59.6 ttt180 -66.65 -41.53 88.07 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.94 -0.304 . . . . 41.2 110.371 -176.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.486 HG22 ' HB ' ' A' ' 33' ' ' ILE . 73.3 mt -61.98 -41.59 91.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.512 0.672 . . . . 71.41 110.291 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.1 mtm -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 73.11 111.104 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.18 -29.29 70.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.487 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 34.2 mtt -72.65 -14.65 61.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 71.01 110.805 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.17 3.0 38.83 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.423 -0.671 . . . . 53.24 111.423 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.722 HG23 HG21 ' A' ' 15' ' ' VAL . 57.3 mt -94.16 91.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.376 -0.602 . . . . 71.13 109.376 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -121.66 -57.46 1.81 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.304 0.573 . . . . 73.13 112.278 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -175.35 137.74 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.253 -0.885 . . . . 73.51 110.1 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.55 -28.79 2.68 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.025 -0.607 . . . . 60.2 113.398 172.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.5 t -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.047 0.451 . . . . 74.42 110.466 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 130.18 53.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.743 -0.662 . . . . 73.04 109.853 175.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.456 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 66.5 mt -109.03 123.81 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 115.353 -0.839 . . . . 71.13 110.493 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 71.0 t80 -86.99 108.8 19.0 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.231 -0.895 . . . . 74.35 109.819 172.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.48 110.61 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.201 -0.666 . . . . 64.0 109.201 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.25 -51.74 8.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.324 -0.398 . . . . 72.01 110.572 -172.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -159.01 123.01 3.91 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.403 -0.519 . . . . 70.21 111.336 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.814 HG13 HG12 ' A' ' 51' ' ' ILE . 42.4 t -97.31 130.06 46.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.886 -0.597 . . . . 75.51 109.491 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.74 144.19 90.59 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.463 -0.335 . . . . 55.21 110.291 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.91 -19.85 69.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.675 2.25 . . . . 74.43 112.043 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.01 -25.1 62.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.361 0.6 . . . . 74.22 110.039 175.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . 95.13 -15.07 64.13 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.246 -0.888 . . . . 53.35 111.693 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.512 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 26.3 t70 -144.61 125.55 7.68 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.527 -0.336 . . . . 64.51 110.149 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 89.6 Cg_endo -94.61 -174.7 5.19 Favored 'Cis proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.398 -1.501 . . . . 72.32 112.643 -4.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.814 HG12 HG13 ' A' ' 44' ' ' VAL . 64.4 mt -112.23 135.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.696 -0.684 . . . . 72.11 110.013 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -96.87 113.94 25.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 75.5 110.226 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.456 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 27.9 pt -119.77 136.92 55.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.462 -0.336 . . . . 63.44 110.296 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -93.72 109.33 21.0 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.481 -0.488 . . . . 72.0 110.62 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.929 HG12 ' HG2' ' A' ' 56' ' ' ARG . 62.5 t -131.85 137.8 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.468 -0.787 . . . . 63.01 108.992 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.929 ' HG2' HG12 ' A' ' 55' ' ' VAL . 10.0 mmt180 63.96 21.08 12.49 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.364 0.415 . . . . 65.52 110.689 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.27 17.15 72.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.985 -0.626 . . . . 44.45 112.477 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -137.04 137.95 39.92 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.866 -0.42 . . . . 75.3 109.866 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 1.2 pm0 -84.77 110.6 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.504 0.669 . . . . 75.24 110.419 176.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 31' ' ' MET . 55.8 mt -95.14 137.03 34.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.082 -0.963 . . . . 72.14 110.052 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.6 m -85.69 105.65 16.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.025 0.44 . . . . 64.21 110.46 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.499 HD23 HD23 ' A' ' 4' ' ' LEU . 30.5 tp -106.49 125.59 51.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.0 -0.546 . . . . 64.01 109.528 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -72.44 156.27 39.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.281 -0.418 . . . . 62.22 111.239 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -60.41 -25.89 66.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.954 -0.566 . . . . 75.33 111.577 -177.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.483 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 13.0 m -59.55 -48.83 80.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 72.21 110.394 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -76.45 -38.45 55.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.903 -0.589 . . . . 72.45 110.818 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.23 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 35.14 111.691 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.451 ' HA ' ' OE1' ' A' ' 68' ' ' GLU . 5.0 mm-40 -85.41 3.57 39.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.457 -0.338 . . . . 70.11 111.239 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 44.5 tpp -113.96 -16.99 12.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.168 0.509 . . . . 74.42 111.045 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 3' ' ' SER . 70.5 mt -87.32 134.93 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.28 -0.418 . . . . 71.2 110.994 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.849 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 7.7 tp10 -98.09 115.38 28.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.981 -0.748 . . . . 73.23 108.981 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.501 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 20.5 m -122.71 178.55 3.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.048 0.451 . . . . 73.34 111.074 -177.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -136.79 130.71 32.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.619 -0.718 . . . . 74.34 109.928 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -70.74 107.77 4.12 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.052 -1.092 . . . . 75.31 108.052 173.624 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.23 109.36 0.59 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.458 0.647 . . . . 70.01 111.279 -172.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -72.1 117.3 13.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.927 -1.033 . . . . 72.44 112.055 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -125.62 124.8 41.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.584 -0.895 . . . . 70.24 108.584 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.3 t60 59.9 33.31 21.52 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.203 0.525 . . . . 75.34 109.679 -177.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.0 m80 69.96 -70.5 0.14 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.382 -0.826 . . . . 72.23 110.506 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.3 t60 179.96 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.514 -0.921 . . . . 74.41 108.514 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.126 -0.94 . . . . 61.53 109.602 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.811 -0.44 . . . . 63.31 109.811 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -85.08 102.94 13.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.27 0.557 . . . . 73.41 109.605 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -92.58 156.91 16.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.621 -0.718 . . . . 74.45 110.26 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.638 HD13 HG21 ' A' ' 13' ' ' VAL . 38.6 tp -61.97 -29.55 70.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.134 0.492 . . . . 72.24 110.317 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' HD3' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -62.77 -29.28 70.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 73.05 110.494 175.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -91.33 -3.31 56.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.731 -0.668 . . . . 75.13 110.562 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.04 160.28 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 32.42 110.556 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HB2' ' NE2' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -114.18 154.15 28.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.335 -0.393 . . . . 74.24 110.39 -178.037 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 p -64.44 153.41 38.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.577 . . . . 72.24 111.34 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.53 -4.73 82.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.041 -0.599 . . . . 64.31 112.671 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.518 ' NE2' ' HB2' ' A' ' 8' ' ' LYS . 48.2 mt-30 -114.6 165.44 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.874 0.368 . . . . 65.32 110.922 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.5 m -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.886 -0.597 . . . . 70.01 110.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.638 HG21 HD13 ' A' ' 4' ' ' LEU . 35.0 m -124.49 158.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.799 0.333 . . . . 62.25 111.097 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -112.17 122.6 48.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.949 -0.569 . . . . 74.04 109.546 174.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.871 HG21 HG23 ' A' ' 33' ' ' ILE . 43.3 t -72.34 121.92 23.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.773 -0.194 . . . . 62.44 110.668 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG23 ' HG2' ' A' ' 71' ' ' GLU . 4.1 m -113.07 -40.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 112.262 0.467 . . . . 64.2 112.262 -178.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 30.4 mtmt -134.17 127.0 31.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.287 0.565 . . . . 71.45 112.004 -178.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.43 103.77 15.15 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.515 -0.766 . . . . 52.21 109.116 175.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -76.61 -5.28 47.09 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.716 0.293 . . . . 73.5 110.721 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 25' ' ' LYS . . . -65.62 123.51 25.0 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.947 -0.644 . . . . 71.31 111.535 175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 p -77.39 88.85 3.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.499 0.555 . . . . 73.23 112.499 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' CA ' ' HG2' ' A' ' 25' ' ' LYS . . . 67.85 -84.18 0.16 Allowed Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.489 -0.778 . . . . 41.31 114.037 172.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.251 0.548 . . . . 72.3 110.527 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.98 -46.84 67.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.431 -0.804 . . . . 71.24 110.758 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 20' ' ' GLY . 18.9 ptmt -67.73 -33.0 74.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.49 -0.323 . . . . 62.45 110.853 -174.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.497 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 79.9 ttt180 -67.94 -45.19 74.98 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 120.555 -0.458 . . . . 74.34 110.633 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -57.42 -44.32 84.53 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 74.2 110.363 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.663 HG22 ' HB ' ' A' ' 33' ' ' ILE . 85.0 mt -61.69 -49.61 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.574 -0.739 . . . . 72.44 111.193 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.654 ' HB2' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -74.72 -30.0 61.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 73.25 111.66 -176.185 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.74 -33.61 73.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.036 0.446 . . . . 72.44 110.822 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.444 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 70.2 mtm -74.32 -22.75 59.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 74.14 111.194 176.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.86 -10.2 3.66 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.425 -0.893 . . . . 60.11 113.122 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.871 HG23 HG21 ' A' ' 15' ' ' VAL . 53.8 mt -86.51 77.58 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.274 0.559 . . . . 74.12 110.205 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 29' ' ' MET . 17.6 p -102.66 22.89 12.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.523 0.935 . . . . 74.24 113.523 -169.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 34' ' ' THR . 52.6 ttp180 68.32 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.227 0.537 . . . . 74.05 110.351 -176.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.1 -12.63 68.55 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.818 -0.913 . . . . 55.31 110.818 -172.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -79.18 147.48 32.63 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.454 -0.573 . . . . 74.34 109.454 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.05 140.41 36.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.002 0.43 . . . . 74.03 110.112 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.684 HG12 HG22 ' A' ' 55' ' ' VAL . 51.2 mt -127.43 122.81 60.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.53 . . . . 62.23 110.627 -176.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.514 ' HD1' ' HD2' ' A' ' 42' ' ' ARG . 51.8 t80 -94.45 115.96 28.23 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.995 -0.742 . . . . 72.02 108.995 173.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.601 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.1 mp -74.77 115.85 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.687 -0.486 . . . . 74.2 109.687 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.732 ' HD3' ' HB2' ' A' ' 54' ' ' ASN . 29.4 mmm180 -83.01 -53.0 6.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 74.1 111.102 -173.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 1.9 tmtp? -156.01 133.05 10.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.17 -174.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.458 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 43.8 t -102.84 110.87 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.54 -0.541 . . . . 73.15 109.54 175.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -57.08 145.9 63.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 61.41 111.311 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 50.7 Cg_exo -54.12 -38.25 87.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.209 2.606 . . . . 75.44 113.123 -177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' HD13 ' A' ' 47' ' ' LEU . 3.1 tm? -74.58 -27.34 60.44 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.163 0.506 . . . . 71.01 110.037 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.81 -7.31 41.7 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.765 -0.731 . . . . 75.41 111.499 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.536 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 13.9 t70 -139.99 125.97 11.88 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.966 -0.383 . . . . 72.31 109.966 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.536 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 83.5 Cg_endo -95.87 177.48 9.59 Favored 'Cis proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.713 -1.37 . . . . 54.35 112.338 -4.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 51' ' ' ILE . 4.2 mp -99.59 127.1 52.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 74.12 109.516 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.24 120.88 28.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.609 -0.515 . . . . 65.04 109.609 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 62' ' ' LEU . 41.2 pt -132.34 153.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.564 -0.289 . . . . 73.21 110.819 -177.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.732 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 46.5 t-20 -107.0 111.18 23.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.651 -0.5 . . . . 74.43 109.651 176.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.684 HG22 HG12 ' A' ' 39' ' ' ILE . 94.5 t -127.24 124.84 64.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 63.44 109.782 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.648 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmm180 65.89 18.59 11.14 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.447 0.467 . . . . 74.35 111.278 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.81 -6.02 76.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.991 -0.623 . . . . 54.22 111.928 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.48 130.78 44.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.675 0.274 . . . . 73.33 110.566 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -75.22 110.71 9.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.742 -0.836 . . . . 64.44 108.742 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -114.87 161.22 18.54 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.044 0.45 . . . . 73.42 110.874 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -127.52 114.33 17.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.786 -0.643 . . . . 70.52 110.307 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 53' ' ' ILE . 3.6 mm? -106.18 137.15 44.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.31 -0.405 . . . . 63.4 110.309 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 63' ' ' ARG . 2.2 mpt_? -68.66 155.98 39.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.312 -0.403 . . . . 74.12 111.001 -178.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' HG3' ' HD3' ' A' ' 5' ' ' ARG . 80.5 tttt -56.88 -46.71 81.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.449 -0.796 . . . . 75.44 110.959 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 m -63.65 -33.57 75.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.661 -0.699 . . . . 51.22 111.328 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.95 -43.29 45.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 70.13 111.012 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.75 -23.39 65.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.252 -0.431 . . . . 70.23 111.813 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -84.58 -6.6 59.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 72.43 110.714 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 91.4 mtp -102.84 0.6 32.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 71.45 110.185 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.508 HG22 HG13 ' A' ' 72' ' ' VAL . 68.9 mt -99.69 114.21 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.747 -0.661 . . . . 74.44 110.214 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.6 tt0 -91.78 120.53 32.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.687 -0.688 . . . . 74.23 109.581 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.643 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -131.38 160.8 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.252 0.548 . . . . 71.42 111.868 -174.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.24 132.73 46.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.116 -0.947 . . . . 71.41 109.323 173.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 76' ' ' HIS . 0.4 OUTLIER -76.7 104.99 7.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.217 -1.031 . . . . 75.13 108.217 174.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -76.89 51.8 0.81 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.244 0.545 . . . . 71.35 111.316 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.569 ' HB2' HD12 ' A' ' 74' ' ' LEU . 78.8 t60 -81.78 121.45 26.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.067 -0.716 . . . . 72.23 109.067 175.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -67.86 115.86 7.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.027 0.441 . . . . 72.3 110.078 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -135.62 86.65 2.25 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.756 -0.656 . . . . 52.22 109.634 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -96.85 121.22 38.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.695 -0.684 . . . . 73.15 110.178 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -144.33 -58.81 0.38 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.184 -0.462 . . . . 73.43 109.819 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.7 t60 . . . . . 0 C--O 1.246 0.918 0 N-CA-C 109.166 -0.679 . . . . 73.15 109.166 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ppp? . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.275 -0.268 . . . . 65.11 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -110.66 111.26 22.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.634 -0.506 . . . . 61.21 109.634 -177.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 5.6 m -85.78 154.71 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.307 -0.406 . . . . 61.42 111.026 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.637 HD13 HG11 ' A' ' 72' ' ' VAL . 56.7 tp -61.34 -29.8 70.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 73.12 111.482 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -68.88 -6.39 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.602 0.593 . . . . 73.41 112.602 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -90.15 -11.78 40.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.124 0.488 . . . . 73.25 110.797 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.27 157.54 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.005 -0.543 . . . . 64.23 110.113 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HB2' HE21 ' A' ' 11' ' ' GLN . 1.5 mptm? -115.79 176.34 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.896 0.379 . . . . 62.22 111.101 -176.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.6 p -66.28 140.17 58.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 73.44 112.214 -175.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 9.33 84.55 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.526 -0.761 . . . . 61.42 112.823 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.455 HE21 ' HB2' ' A' ' 8' ' ' LYS . 48.7 mt-30 -109.56 146.15 35.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.612 0.244 . . . . 72.13 110.369 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -102.45 121.67 42.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.222 -0.445 . . . . 73.4 110.607 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 HD13 ' A' ' 74' ' ' LEU . 35.7 m -119.35 151.27 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.375 -0.375 . . . . 73.22 110.523 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.992 0.425 . . . . 73.41 110.849 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG21 HG23 ' A' ' 33' ' ' ILE . 60.4 t -81.03 114.68 22.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.283 -0.871 . . . . 44.02 109.614 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -107.39 -39.9 4.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.674 -0.41 . . . . 73.5 112.062 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 2.8 tppp? -137.01 133.23 35.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 53.51 110.79 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.554 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 87.8 mt -108.45 118.6 37.19 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.254 -0.43 . . . . 71.52 109.849 176.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.822 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 62.7 m-70 -99.73 175.77 5.69 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.932 -0.766 . . . . 71.2 108.932 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.584 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 119.43 157.19 10.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 74.33 111.813 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 m -85.34 79.56 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.009 0.404 . . . . 65.3 111.736 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.44 -75.7 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 CA-C-N 115.65 -0.705 . . . . 44.15 114.85 171.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.42 84.92 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.654 0.382 . . . . 70.23 111.512 -173.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 28' ' ' ILE . 55.2 tp -58.07 -45.82 86.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.168 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.584 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -57.81 -45.61 85.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 75.42 111.312 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -62.0 -43.65 98.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.014 0.435 . . . . 73.14 110.249 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.64 -40.23 96.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 74.43 110.614 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.571 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 92.6 mt -66.73 -49.58 73.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.8 -0.636 . . . . 74.45 110.841 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.483 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 73.7 mtm -66.39 -33.52 75.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 71.44 111.274 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.5 -36.65 78.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 74.42 111.474 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.571 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.7 mtm -72.82 -24.46 60.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 71.13 110.978 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.53 -20.26 4.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.78 . . . . 60.41 112.286 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.678 HG23 HG21 ' A' ' 15' ' ' VAL . 55.8 mt -67.25 110.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.804 0.335 . . . . 71.23 110.449 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -134.82 165.29 25.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 72.0 111.308 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -67.97 114.15 6.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.071 0.463 . . . . 64.22 110.776 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.07 -1.73 44.23 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.758 -0.655 . . . . 71.1 113.015 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.4 p -86.15 140.43 30.2 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.38 0.59 . . . . 63.12 109.755 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -101.43 124.51 47.22 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.358 0.599 . . . . 71.24 110.122 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 55' ' ' VAL . 58.4 mt -121.48 124.66 72.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.21 -0.904 . . . . 71.44 109.624 -174.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 23.9 p90 -96.69 131.0 43.82 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.752 -0.833 . . . . 73.42 108.752 171.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.3 mt -79.99 126.33 39.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.231 -0.441 . . . . 73.41 109.952 -177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -76.01 -51.47 12.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.747 -0.464 . . . . 65.51 109.747 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 70.3 mttt -154.45 135.96 14.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 44.51 111.457 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 51' ' ' ILE . 50.5 t -111.75 117.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.114 -0.699 . . . . 51.35 109.114 172.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.69 143.61 92.74 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.098 -0.334 . . . . 64.23 110.098 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.9 Cg_exo -63.51 -11.52 26.42 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.169 2.579 . . . . 60.35 112.409 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -81.42 -10.41 59.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.665 -0.698 . . . . 65.45 110.22 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 -12.74 68.7 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.342 -0.703 . . . . 54.22 111.342 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -159.79 150.19 15.35 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.435 -0.58 . . . . 70.51 109.435 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -83.88 157.56 70.85 Favored 'Cis proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 -1.653 . . . . 71.12 112.216 -4.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.438 HG23 HG22 ' A' ' 44' ' ' VAL . 64.5 mt -102.48 118.74 49.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.844 -0.616 . . . . 52.53 109.53 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -91.0 113.82 26.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.836 -0.62 . . . . 73.12 109.848 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.43 HG13 ' HB2' ' A' ' 60' ' ' LEU . 35.3 pt -120.59 161.87 19.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.545 0.212 . . . . 71.12 110.669 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -126.6 114.88 18.66 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.924 0.392 . . . . 54.1 110.314 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 39' ' ' ILE . 18.7 t -126.04 140.93 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 72.24 109.341 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HG2' HG12 ' A' ' 55' ' ' VAL . 31.2 mmt180 66.77 -73.81 0.07 Allowed 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.912 0.757 . . . . 63.22 110.006 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.96 23.0 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.112 -1.195 . . . . 40.01 110.112 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -127.34 142.91 51.32 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.598 -0.519 . . . . 73.0 109.598 -173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -89.23 110.83 21.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 75.44 110.095 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HB2' HG13 ' A' ' 53' ' ' ILE . 87.2 mt -99.47 129.77 45.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.11 -0.495 . . . . 73.5 110.792 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -93.26 106.47 18.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 74.04 109.803 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 66' ' ' ALA . 30.7 tp -108.77 149.84 28.47 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.518 -0.549 . . . . 73.32 109.518 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.74 167.89 9.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.481 -0.488 . . . . 75.01 110.958 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -58.25 -29.57 65.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.415 -0.812 . . . . 72.23 111.755 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -53.59 -52.81 58.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 42.14 111.199 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -76.33 -38.79 55.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.3 -0.409 . . . . 61.12 111.204 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.62 66.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.517 -0.311 . . . . 74.52 111.772 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -82.97 -10.84 58.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.305 -0.407 . . . . 75.34 111.539 177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.822 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 1.1 tpt -118.35 -2.0 11.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.947 0.403 . . . . 65.03 111.213 -174.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 66' ' ' ALA . 73.4 mt -92.84 128.43 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.385 -0.37 . . . . 73.11 110.41 177.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.2 tp10 -93.48 116.45 28.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.72 -0.673 . . . . 34.13 109.681 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.637 HG11 HD13 ' A' ' 4' ' ' LEU . 30.8 m -131.13 165.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.949 0.404 . . . . 71.33 112.041 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -133.55 150.73 51.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.601 -0.727 . . . . 74.25 109.463 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 HG12 ' A' ' 13' ' ' VAL . 4.5 mm? -84.62 133.06 34.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 71.15 111.317 -177.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -79.21 154.29 29.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.756 -0.461 . . . . 71.13 109.756 172.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 66.71 23.85 10.11 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.458 0.647 . . . . 75.14 110.656 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 16.3 p80 -79.09 148.11 32.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.852 -0.796 . . . . 74.41 108.852 173.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 65.5 t60 74.65 143.55 0.07 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.088 0.867 . . . . 72.44 110.254 -176.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -68.79 88.35 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 71.1 111.402 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.62 141.89 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.553 1.141 . . . . 73.41 112.76 176.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.673 -0.679 . . . . 74.53 109.808 179.21 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HG3' ' OE2' ' A' ' 71' ' ' GLU . 26.8 ttt . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.066 0.46 . . . . 64.04 110.333 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -130.25 106.18 8.41 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.822 -0.807 . . . . 72.25 108.822 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 99.2 p -84.63 166.21 17.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.394 -0.367 . . . . 63.12 110.315 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 39' ' ' ILE . 17.2 tp -69.44 -16.27 63.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.414 0.626 . . . . 63.13 109.513 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -39.33 68.79 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.265 -0.879 . . . . 71.23 108.988 173.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -68.64 -22.1 64.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.821 -0.627 . . . . 74.43 111.146 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 155.73 36.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 70.23 110.86 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -111.32 160.36 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.2 -0.454 . . . . 61.55 110.054 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 p -73.91 140.8 45.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.934 0.397 . . . . 62.45 110.496 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.38 1.96 71.18 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.396 -0.682 . . . . 41.42 111.396 -177.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -104.56 152.02 22.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.463 -0.369 . . . . 65.43 110.53 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' ' HB2' ' A' ' 75' ' ' GLU . 36.3 m -111.44 129.77 55.92 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.984 -0.746 . . . . 44.43 108.984 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.01 172.55 15.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.596 0.236 . . . . 63.02 110.565 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.587 ' HD3' ' HG2' ' A' ' 75' ' ' GLU . 14.0 mtpt -130.3 131.69 45.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.346 -0.388 . . . . 55.44 110.702 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' HA ' HG12 ' A' ' 72' ' ' VAL . 61.8 t -74.6 115.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.087 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -107.84 -38.86 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.275 -0.42 . . . . 72.21 111.602 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.654 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 56.6 mtpt -133.31 156.68 47.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.068 0.461 . . . . 72.54 110.308 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.18 116.26 19.65 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.987 -0.551 . . . . 70.41 109.835 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -86.83 154.48 20.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.176 -0.465 . . . . 55.23 109.747 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 175.81 14.2 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.784 -0.722 . . . . 73.13 111.741 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.5 p -79.12 -63.57 1.39 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.699 0.285 . . . . 74.21 111.503 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.81 -57.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.597 -0.811 . . . . 24.01 112.683 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.83 88.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.647 0.26 . . . . 52.05 111.11 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.44 -41.22 76.09 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.038 -0.528 . . . . 72.24 110.443 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -66.26 -49.26 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.176 -0.466 . . . . 62.32 111.168 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -63.08 -32.43 73.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.839 -0.43 . . . . 65.34 109.839 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.36 -42.15 86.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 75.44 110.464 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.732 HG22 ' HB ' ' A' ' 33' ' ' ILE . 60.6 mt -70.77 -41.55 77.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 74.01 110.548 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.501 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 87.6 mtp -63.42 -31.54 72.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 63.34 111.11 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.35 -32.6 68.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.818 -0.628 . . . . 75.32 111.324 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.567 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 62.8 mtm -84.52 -0.06 51.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.756 -0.656 . . . . 72.3 111.067 -177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.3 -3.31 50.85 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.945 -0.645 . . . . 42.31 112.563 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.732 ' HB ' HG22 ' A' ' 28' ' ' ILE . 40.3 mt -88.3 106.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 53.24 110.477 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -147.45 178.83 8.12 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 74.13 109.622 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.2 130.16 44.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 73.55 110.451 -177.614 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.63 -4.98 69.7 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.972 -0.632 . . . . 70.13 112.498 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.6 t -83.09 140.13 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 74.23 110.335 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -92.55 126.4 37.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.474 -0.784 . . . . 74.44 109.558 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.521 HG21 HD21 ' A' ' 4' ' ' LEU . 35.8 mm -112.02 117.42 55.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.99 -0.55 . . . . 44.44 110.267 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -95.23 105.82 17.79 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.937 -0.574 . . . . 65.5 109.896 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.1 mp -75.84 107.77 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.836 -0.801 . . . . 74.02 108.836 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -86.38 -40.87 14.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.37 -0.377 . . . . 73.44 110.642 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 44' ' ' VAL . 4.6 tmtt? -156.84 137.83 13.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.772 0.32 . . . . 73.33 110.64 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' N ' ' HD3' ' A' ' 43' ' ' LYS . 46.3 t -114.11 130.28 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.047 -0.723 . . . . 73.41 109.047 173.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.3 143.26 98.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.735 -0.386 . . . . 71.33 110.341 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -58.26 -29.63 88.34 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.974 2.449 . . . . 74.24 112.456 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.8 tp -85.86 -4.81 59.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.848 -0.615 . . . . 70.44 110.661 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.73 -24.68 31.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.989 -0.624 . . . . 65.14 112.509 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.554 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 8.5 t70 -134.59 133.71 21.64 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.959 -0.385 . . . . 75.14 109.959 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 93.6 Cg_endo -94.4 -172.79 4.16 Favored 'Cis proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.699 -1.376 . . . . 72.41 112.784 -2.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.401 HG22 HG23 ' A' ' 53' ' ' ILE . 4.7 mp -116.08 128.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.001 -0.545 . . . . 63.31 110.007 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -94.45 110.2 22.01 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.172 0.511 . . . . 75.5 110.703 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.401 HG23 HG22 ' A' ' 51' ' ' ILE . 27.1 pt -120.97 144.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.732 -0.667 . . . . 73.22 110.215 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -104.36 113.04 26.33 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.959 -0.386 . . . . 73.33 109.959 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.604 HG12 ' HG3' ' A' ' 56' ' ' ARG . 60.6 t -124.09 119.16 56.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 73.15 110.368 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG3' HG12 ' A' ' 55' ' ' VAL . 71.1 mtt180 62.0 27.33 16.55 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.476 0.485 . . . . 53.35 111.065 176.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.38 -16.72 59.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.08 -0.581 . . . . 61.05 112.32 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.37 129.98 37.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.665 0.269 . . . . 75.44 110.297 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -96.31 117.31 30.56 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.332 0.587 . . . . 62.31 109.708 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 mt -115.69 146.63 41.69 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.045 -0.98 . . . . 75.02 111.108 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m -112.72 108.69 17.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.514 -0.55 . . . . 54.44 109.514 173.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD11 ' HE3' ' A' ' 31' ' ' MET . 12.4 mt -105.36 153.23 21.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 72.33 111.564 -176.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 146.95 54.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.198 -0.91 . . . . 73.41 110.345 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -54.56 -42.12 70.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.619 . . . . 72.43 110.181 178.531 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.594 ' HA ' ' OE2' ' A' ' 68' ' ' GLU . 35.9 m -61.56 -32.9 73.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 64.03 111.856 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.48 -35.57 60.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.83 0.348 . . . . 71.04 110.738 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -22.07 63.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.21 111.027 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.594 ' OE2' ' HA ' ' A' ' 65' ' ' SER . 44.0 mt-10 -67.46 -31.52 71.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.18 0.514 . . . . 73.5 110.903 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.8 mmt -82.6 -20.39 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 73.42 111.246 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.569 HG22 HG13 ' A' ' 72' ' ' VAL . 53.5 mt -82.09 109.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.807 0.337 . . . . 73.43 110.608 -178.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 8.0 tp10 -89.13 112.94 24.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.347 -0.612 . . . . 71.42 109.347 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG13 HG22 ' A' ' 70' ' ' ILE . 25.9 m -122.42 163.0 21.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.215 0.531 . . . . 73.43 111.465 -175.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -110.41 144.84 38.58 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.901 -0.778 . . . . 74.34 108.901 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.86 110.95 8.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.009 -1.108 . . . . 72.11 108.009 174.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.587 ' HG2' ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -59.71 157.35 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.283 0.563 . . . . 73.31 111.377 -173.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -61.46 109.68 1.24 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.374 -0.83 . . . . 65.01 109.764 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -82.58 17.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 54.43 111.262 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 71.57 153.27 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.475 -0.784 . . . . 74.04 111.431 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 62.0 70.24 0.59 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.387 -0.824 . . . . 71.42 110.48 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -94.75 -18.31 21.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.679 -0.86 . . . . 74.24 108.679 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.0 t60 . . . . . 0 C--O 1.242 0.692 0 CA-C-N 114.862 -1.063 . . . . 65.03 109.476 177.078 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 66.7 ttp . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.845 0.355 . . . . 71.01 110.751 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 72' ' ' VAL . 35.8 t80 -85.51 107.13 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.31 -0.996 . . . . 74.23 108.31 173.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.501 ' HB3' ' HB2' ' A' ' 6' ' ' ASP . 43.9 t -77.88 150.67 34.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.9 -0.591 . . . . 74.11 111.169 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 72' ' ' VAL . 41.4 tp -66.87 -26.89 67.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.276 0.56 . . . . 72.14 109.719 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 2.5 tmm_? -83.26 -12.26 56.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.624 -0.716 . . . . 61.51 109.735 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 24.2 t70 -92.17 -20.17 21.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.772 . . . . 62.42 110.128 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.14 148.83 50.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.83 -0.623 . . . . 63.51 110.64 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -94.25 142.19 27.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.48 -0.327 . . . . 73.12 110.473 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.63 127.41 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 65.45 110.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.96 -10.98 29.53 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.953 -0.641 . . . . 41.34 111.74 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -106.3 157.45 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 63.12 110.895 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.8 m -109.88 129.16 55.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.908 -0.587 . . . . 64.52 110.323 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.595 HG12 HD22 ' A' ' 74' ' ' LEU . 34.7 m -120.66 179.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 73.12 110.173 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -131.46 136.12 47.68 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.132 -0.322 . . . . 62.34 110.132 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.652 ' HA ' HG12 ' A' ' 72' ' ' VAL . 93.8 t -73.77 117.51 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.408 -0.589 . . . . 63.43 109.408 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG23 ' HG2' ' A' ' 71' ' ' GLU . 14.0 m -111.04 -36.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.628 -0.429 . . . . 63.4 111.882 -176.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.664 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 15.4 tppt? -140.73 134.89 30.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.018 0.437 . . . . 73.42 111.018 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.578 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 82.1 mt -105.84 107.37 18.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.262 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 69' ' ' MET . 35.1 m-70 -88.28 158.96 18.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.02 -0.363 . . . . 73.12 110.02 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.79 -167.25 24.06 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.505 -0.855 . . . . 70.12 112.707 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 p -85.72 1.87 47.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.102 0.477 . . . . 75.33 111.835 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.791 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 96.59 -47.32 1.73 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.658 -0.782 . . . . 74.31 111.84 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.29 93.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.094 0.473 . . . . 60.12 110.519 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.3 tp -61.69 -41.97 98.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 74.21 110.122 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.791 ' HD3' ' HA2' ' A' ' 22' ' ' GLY . 52.7 mtpt -62.7 -46.73 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.633 -0.712 . . . . 72.34 110.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -58.01 -39.67 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.758 -0.656 . . . . 72.54 110.772 178.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -67.57 -43.09 81.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.36 -0.382 . . . . 72.44 110.768 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.561 HG22 ' HB ' ' A' ' 33' ' ' ILE . 73.7 mt -69.24 -38.78 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.678 0.275 . . . . 62.12 111.142 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.15 -29.26 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 75.24 110.551 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.74 -30.32 70.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.667 -0.697 . . . . 71.43 111.368 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.613 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.8 mpp? -81.17 -6.45 58.86 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.748 0.309 . . . . 70.31 111.452 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.77 2.13 46.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.539 -0.839 . . . . 74.32 112.195 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.561 ' HB ' HG22 ' A' ' 28' ' ' ILE . 46.4 mt -87.43 99.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.756 -0.461 . . . . 70.34 109.756 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -120.67 156.03 32.59 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.084 -0.507 . . . . 74.53 111.047 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HG2' ' H ' ' A' ' 35' ' ' ARG . 10.9 ptt85 -58.41 114.29 2.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.217 0.532 . . . . 72.0 110.291 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.45 -31.71 4.12 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.383 -0.826 . . . . 75.41 112.396 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.62 149.29 42.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.805 0.336 . . . . 25.54 110.562 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -90.98 139.88 30.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.13 0.491 . . . . 73.24 110.293 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.425 HG21 HD11 ' A' ' 4' ' ' LEU . 31.1 mm -114.82 114.41 46.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.506 -0.77 . . . . 71.45 109.894 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -83.2 113.55 20.74 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.398 -0.593 . . . . 74.12 109.398 172.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 mm -75.24 99.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.208 -0.664 . . . . 72.51 109.208 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -46.44 21.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.627 -0.715 . . . . 62.42 110.917 -171.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -160.8 122.81 3.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.942 0.401 . . . . 74.31 111.673 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.9 t -104.74 112.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.614 -0.884 . . . . 63.42 108.614 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.27 143.7 84.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.477 -0.329 . . . . 71.13 111.07 -176.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.12 -10.26 27.96 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.805 2.337 . . . . 72.11 112.117 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.99 -18.62 36.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.639 . . . . 54.54 109.756 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -11.72 57.11 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.632 -0.713 . . . . 51.22 112.11 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -155.64 137.62 9.88 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 110.234 -0.284 . . . . 72.03 110.234 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -91.73 -174.76 6.96 Favored 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.364 -1.515 . . . . 73.44 112.752 0.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG22 HG23 ' A' ' 53' ' ' ILE . 3.6 mp -110.86 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.106 -0.701 . . . . 74.13 109.106 175.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -90.22 113.88 25.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.316 -0.624 . . . . 65.32 109.316 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.538 HG23 HG22 ' A' ' 51' ' ' ILE . 26.9 pt -120.81 158.35 23.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.459 -0.337 . . . . 72.1 110.701 -177.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.78 110.68 20.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.905 -0.405 . . . . 64.11 109.905 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.854 HG12 ' HG2' ' A' ' 56' ' ' ARG . 49.0 t -122.98 131.43 73.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.856 -0.611 . . . . 62.32 109.887 -178.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.854 ' HG2' HG12 ' A' ' 55' ' ' VAL . 29.9 mmt180 63.29 16.18 9.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.343 -0.39 . . . . 74.35 110.679 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.82 -16.19 61.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.015 -0.612 . . . . 74.12 112.17 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -101.71 135.35 43.39 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.099 -0.334 . . . . 71.42 110.099 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -84.08 124.28 30.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.362 0.601 . . . . 73.42 110.765 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 31' ' ' MET . 67.4 mt -114.67 138.82 50.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.404 -0.816 . . . . 63.02 110.197 -176.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.1 m -94.55 106.23 18.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.203 -0.453 . . . . 74.54 109.962 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 tp -107.52 140.92 39.76 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.642 -0.503 . . . . 63.54 109.642 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -79.47 153.74 29.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.122 0.487 . . . . 72.24 111.799 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 30.8 ttpt -45.5 -53.18 9.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.587 -1.188 . . . . 72.12 112.369 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 p -63.76 -41.31 98.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.844 0.312 . . . . 71.21 111.844 -176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.508 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -68.45 -43.58 76.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 70.01 110.822 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.25 84.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.267 0.556 . . . . 70.22 110.901 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.497 ' HA ' ' OG ' ' A' ' 3' ' ' SER . 28.8 tt0 -68.93 -26.09 64.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.544 -0.753 . . . . 74.2 111.182 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 10.0 tpt -83.25 -8.03 59.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.095 -0.502 . . . . 72.32 110.786 -178.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.526 HD11 ' CD1' ' A' ' 28' ' ' ILE . 36.8 mm -91.55 129.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.076 0.465 . . . . 74.24 111.399 -176.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.664 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 4.4 tt0 -93.68 116.56 29.06 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.294 -0.866 . . . . 73.53 109.664 177.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 4' ' ' LEU . 28.0 m -124.57 171.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.254 -0.43 . . . . 72.13 110.662 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -123.52 131.13 53.55 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.077 -0.51 . . . . 74.45 109.707 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.595 HD22 HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -73.86 113.42 10.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.92 -0.77 . . . . 72.22 108.92 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.74 110.05 2.25 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.145 0.497 . . . . 71.33 110.411 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -78.0 91.47 4.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.582 -0.735 . . . . 71.23 109.149 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -87.99 45.4 1.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.617 0.722 . . . . 73.34 111.058 -174.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -156.03 145.42 20.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.081 -1.081 . . . . 65.21 108.081 173.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -126.62 140.81 52.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.064 0.459 . . . . 72.21 111.584 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -91.08 -20.01 22.52 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.746 -0.835 . . . . 74.03 108.746 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 . . . . . 0 C--O 1.245 0.852 0 CA-C-N 114.881 -1.054 . . . . 61.22 108.822 175.243 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ttt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.729 0.299 . . . . 55.3 110.381 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -131.67 102.06 5.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.326 -0.62 . . . . 75.33 109.326 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 84.0 p -98.22 178.57 5.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.353 -0.385 . . . . 62.32 110.941 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.1 mt -70.84 -8.17 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.364 0.602 . . . . 61.34 110.211 174.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.734 ' HG3' ' HG2' ' A' ' 68' ' ' GLU . 24.2 mmm180 -85.33 -31.73 22.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.426 -0.807 . . . . 71.55 110.368 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -82.62 -28.81 30.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.893 -1.048 . . . . 71.21 109.946 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.71 155.24 40.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.488 -0.778 . . . . 73.13 111.238 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -107.26 153.77 22.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 73.4 109.739 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.636 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 9.9 p -58.79 140.83 54.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.678 0.275 . . . . 54.1 110.559 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.42 -22.66 35.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 62.13 112.593 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 53.6 mt-30 -69.89 133.06 46.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.937 0.399 . . . . 62.43 111.131 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -95.53 103.92 15.81 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.602 -0.726 . . . . 75.3 109.539 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 74' ' ' LEU . 22.6 m -113.64 174.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.423 -0.584 . . . . 63.31 109.423 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.661 0.267 . . . . 53.24 110.465 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.35 124.43 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.72 -0.673 . . . . 72.32 110.342 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -117.26 -40.37 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.22 0.452 . . . . 73.24 112.22 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 50.1 tttm -139.04 149.69 44.92 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.477 -0.489 . . . . 62.5 110.548 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.87 112.87 19.75 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.957 -0.565 . . . . 62.25 110.006 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -72.59 -9.15 58.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 72.15 111.763 -175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.72 149.93 48.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.766 -0.73 . . . . 72.32 111.612 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.2 p -57.44 -79.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.38 . . . . 73.52 111.88 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.91 -57.64 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.205 -0.758 . . . . 64.34 111.205 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.3 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.932 0.396 . . . . 71.21 110.441 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.48 -46.81 83.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.687 -0.688 . . . . 73.32 110.711 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -59.92 -53.61 55.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.094 -0.503 . . . . 71.41 110.764 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -58.48 -40.66 83.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.525 -0.761 . . . . 64.55 111.495 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 27' ' ' ARG . 17.2 tpt180 -60.52 -47.49 85.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.632 0.253 . . . . 72.22 111.023 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.789 HD13 HD11 ' A' ' 70' ' ' ILE . 68.5 mt -61.28 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 72.32 111.005 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 68.2 mtm -67.06 -30.81 70.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.997 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.91 -35.81 81.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.735 -0.666 . . . . 50.44 110.704 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 28' ' ' ILE . 67.0 mtm -76.92 -17.47 58.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.848 -0.615 . . . . 73.44 111.001 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.04 -8.76 6.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.6 -0.809 . . . . 53.31 113.356 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.692 HG12 HG21 ' A' ' 55' ' ' VAL . 51.1 mt -97.89 103.52 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.004 0.402 . . . . 63.43 111.173 -176.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.407 ' HA ' ' HG2' ' A' ' 29' ' ' MET . 12.5 t -128.66 173.05 10.64 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.937 -0.394 . . . . 51.12 109.937 177.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.92 142.29 54.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.28 -0.418 . . . . 74.24 110.379 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.95 -21.45 46.07 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.933 -0.651 . . . . 74.13 111.923 -177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.2 m -78.72 148.89 32.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 73.32 110.865 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.27 135.69 33.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.569 -0.741 . . . . 73.42 110.33 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 13' ' ' VAL . 19.8 mm -128.02 116.45 42.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.656 -0.498 . . . . 73.42 109.656 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 54' ' ' ASN . 4.4 p90 -112.72 130.66 55.98 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.256 -0.978 . . . . 72.42 109.237 171.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.851 ' HA ' HG22 ' A' ' 53' ' ' ILE . 4.4 mp -72.63 111.86 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.675 -0.693 . . . . 75.41 109.893 -175.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -56.84 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.64 -0.709 . . . . 74.52 111.128 -171.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 57.0 tttm -143.44 122.16 12.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.349 . . . . 74.12 110.992 -175.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -108.4 125.95 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.442 -0.345 . . . . 61.13 110.099 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.0 145.73 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.058 -0.349 . . . . 61.43 110.058 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -42.91 -46.49 8.67 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.915 3.077 . . . . 75.0 113.527 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.64 -35.07 72.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.668 . . . . 74.41 110.526 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.58 -3.12 20.0 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.529 -0.628 . . . . 61.5 111.529 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 27.6 t70 -138.92 124.22 11.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.811 -0.44 . . . . 71.05 109.811 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 42.3 Cg_endo -89.36 -176.36 10.02 Favored 'Cis proline' 0 C--O 1.236 0.389 0 C-N-CA 123.411 -1.496 . . . . 73.31 112.754 -0.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.575 HD11 HH11 ' A' ' 5' ' ' ARG . 73.2 mt -119.02 121.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.943 -0.571 . . . . 62.2 109.799 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 35.2 tt0 -95.43 116.41 28.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.216 0.532 . . . . 74.21 109.937 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.851 HG22 ' HA ' ' A' ' 41' ' ' ILE . 1.4 pp -123.0 148.52 26.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.786 -0.643 . . . . 74.51 110.653 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.463 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 24.3 t-20 -97.83 112.92 24.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.862 0.363 . . . . 73.35 110.257 -178.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.724 HG12 ' HG2' ' A' ' 56' ' ' ARG . 23.2 t -119.51 124.51 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.787 -0.642 . . . . 64.4 109.962 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.724 ' HG2' HG12 ' A' ' 55' ' ' VAL . 20.0 mmm180 67.15 12.05 8.73 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.107 -0.497 . . . . 53.44 110.997 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.63 -15.17 58.76 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.138 -0.553 . . . . 64.55 111.834 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -100.94 132.53 46.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.132 -0.322 . . . . 73.35 110.132 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 1.3 pm0 -82.42 124.77 30.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.09 0.472 . . . . 70.31 111.129 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.25 153.58 32.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 62.11 110.153 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.1 t -118.95 107.81 14.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 62' ' ' LEU . 16.6 mt -106.79 142.97 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.446 -0.343 . . . . 75.1 110.336 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -73.75 158.82 33.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.481 -0.562 . . . . 50.43 109.481 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 14.5 ptmm? -53.44 -37.73 62.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.425 . . . . 71.45 111.597 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -56.21 -40.92 74.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.392 . . . . 74.41 111.346 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.73 -34.14 60.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 61.11 110.953 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.88 -29.88 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.898 0.38 . . . . 63.52 110.988 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.734 ' HG2' ' HG3' ' A' ' 5' ' ' ARG . 48.7 mt-10 -70.29 -13.27 62.09 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.046 -0.525 . . . . 61.54 111.924 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptp -107.57 6.33 27.86 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.486 -0.486 . . . . 75.3 111.565 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.789 HD11 HD13 ' A' ' 28' ' ' ILE . 49.0 mm -97.78 118.15 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.997 -0.281 . . . . 61.42 110.568 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 7.8 tp10 -92.88 120.1 32.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.733 -0.84 . . . . 75.14 108.733 176.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 70' ' ' ILE . 21.3 m -126.58 162.51 30.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.273 0.559 . . . . 70.54 111.725 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -126.02 151.39 47.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 54.13 109.921 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.432 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? -87.11 123.32 32.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.131 -0.692 . . . . 75.53 109.131 171.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.01 -25.49 67.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.568 0.699 . . . . 63.51 109.367 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -119.52 89.47 3.13 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.589 -0.893 . . . . 73.33 108.589 167.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -62.87 138.83 58.65 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.882 0.372 . . . . 73.24 110.536 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -70.82 104.61 2.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.418 -0.81 . . . . 72.22 111.327 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -77.05 91.86 3.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.371 -0.831 . . . . 72.21 109.786 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -83.13 85.85 7.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.885 0.374 . . . . 75.3 110.059 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 t60 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.568 -0.73 . . . . 73.13 109.222 178.623 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.715 0.293 . . . . 63.44 110.652 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.416 ' CD2' HG23 ' A' ' 72' ' ' VAL . 69.0 t80 -85.28 111.89 20.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.961 -0.755 . . . . 71.21 108.961 173.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.745 ' OG ' ' HA ' ' A' ' 68' ' ' GLU . 28.0 t -88.35 149.82 23.54 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.811 -0.631 . . . . 65.31 112.046 -173.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD13 HG11 ' A' ' 72' ' ' VAL . 36.9 tp -63.42 -20.78 65.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.133 -0.94 . . . . 74.52 110.496 176.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.041 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 23.8 ptt180 -78.22 -15.86 58.4 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 63.12 111.159 -175.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -87.53 -16.38 34.8 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.944 0.402 . . . . 74.43 110.868 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.558 ' CB ' HG13 ' A' ' 41' ' ' ILE . . . -63.41 154.27 32.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.019 -0.537 . . . . 71.32 110.743 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -116.47 169.42 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.404 -0.362 . . . . 75.24 111.179 -175.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 p -65.82 110.44 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.224 0.535 . . . . 74.11 111.08 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.11 -11.8 22.23 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.872 -0.603 . . . . 72.4 111.83 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -85.59 145.85 27.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.247 0.546 . . . . 62.53 111.32 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 75' ' ' GLU . 14.4 m -109.25 134.07 52.23 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.32 -0.855 . . . . 65.52 109.127 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 74' ' ' LEU . 14.0 m -134.46 149.82 30.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.421 -0.215 . . . . 64.51 110.421 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -112.18 125.85 54.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.68 -0.237 . . . . 74.51 110.399 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.723 ' HA ' HG12 ' A' ' 72' ' ' VAL . 58.1 t -71.35 129.39 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.802 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.556 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 3.4 m -116.8 -46.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.288 -0.414 . . . . 72.55 111.697 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 14.4 mptt -130.18 156.94 43.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.893 0.377 . . . . 61.41 110.627 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.02 118.31 20.42 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.655 -0.498 . . . . 73.44 109.655 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -90.51 176.12 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 74.45 109.521 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.92 -177.04 16.37 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.302 -0.951 . . . . 74.44 112.746 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 p -75.26 -77.54 0.12 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.291 . . . . 74.32 111.778 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.66 -58.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.49 -0.862 . . . . 50.34 112.812 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.14 -33.8 76.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 71.14 110.693 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 28' ' ' ILE . 61.4 tp -58.33 -43.72 88.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.856 -0.611 . . . . 73.51 110.312 175.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.54 -43.5 98.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 71.2 110.411 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -57.48 -46.69 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 75.01 110.682 175.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -59.21 -47.05 86.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.717 -0.674 . . . . 75.14 110.943 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.529 HG22 ' HB ' ' A' ' 33' ' ' ILE . 74.0 mt -63.38 -42.68 97.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.206 0.527 . . . . 75.14 110.743 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 62.2 mtt -64.66 -50.1 68.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.715 -0.675 . . . . 72.35 111.583 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.39 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.182 0.515 . . . . 75.22 110.368 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.621 ' HE3' HD13 ' A' ' 33' ' ' ILE . 1.8 ttp -63.25 -25.73 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.161 -0.927 . . . . 74.24 110.682 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.46 -18.63 6.04 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.858 -0.687 . . . . 65.43 112.33 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.621 HD13 ' HE3' ' A' ' 31' ' ' MET . 4.1 mp -81.64 103.36 8.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.131 0.491 . . . . 73.41 109.925 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.07 171.06 14.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.056 -0.52 . . . . 63.21 110.717 -178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -72.21 126.83 30.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.866 0.365 . . . . 71.41 110.751 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.63 -7.13 55.52 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.844 -0.694 . . . . 34.33 112.695 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -86.66 144.6 27.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.728 0.299 . . . . 73.24 111.122 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -85.85 120.69 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 72.12 109.959 177.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 13' ' ' VAL . 27.9 mm -104.19 114.77 44.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.088 -0.505 . . . . 63.31 109.998 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.471 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 48.3 t80 -93.51 112.47 24.37 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.009 -0.541 . . . . 73.53 109.742 176.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.558 HG13 ' CB ' ' A' ' 7' ' ' ALA . 19.4 mm -85.07 110.15 18.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.327 -0.62 . . . . 73.43 109.327 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HD2' ' HG2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -102.35 -23.22 13.99 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.597 -0.441 . . . . 74.43 111.842 -174.725 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 52' ' ' GLN . 63.8 tttm -150.95 127.26 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.68 0.276 . . . . 73.3 111.113 -176.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.3 t -124.74 122.0 62.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.436 -0.579 . . . . 55.52 109.436 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -70.73 145.26 92.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.569 -0.287 . . . . 71.34 110.78 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 34.0 Cg_exo -58.71 -27.86 84.7 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.905 2.403 . . . . 74.22 112.809 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD12 ' H ' ' A' ' 49' ' ' ASP . 3.8 pp -100.18 6.69 44.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.037 0.446 . . . . 71.53 110.792 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.22 -35.41 4.48 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.92 -0.582 . . . . 74.43 113.303 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.6 ' H ' HD12 ' A' ' 47' ' ' LEU . 23.1 t70 -118.27 130.37 24.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.996 0.398 . . . . 61.41 111.265 -173.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 98.4 Cg_endo -96.36 172.74 12.62 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.583 -1.424 . . . . 75.31 112.953 -2.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.5 mt -108.17 132.75 55.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.399 -0.593 . . . . 72.54 109.399 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.582 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . 3.9 tp-100 -100.06 115.94 30.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.307 -0.406 . . . . 75.12 109.913 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.548 HG22 HD13 ' A' ' 41' ' ' ILE . 33.0 pt -119.97 139.37 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.88 0.372 . . . . 74.4 110.871 -177.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 11.6 m120 -95.48 110.93 22.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 74.11 110.551 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.63 HG12 ' HG2' ' A' ' 56' ' ' ARG . 42.4 t -135.5 130.54 50.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.602 -0.727 . . . . 31.05 109.697 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HG2' HG12 ' A' ' 55' ' ' VAL . 34.2 mmt180 61.47 23.35 13.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.997 0.427 . . . . 75.22 111.269 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.11 -11.6 71.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.978 -0.629 . . . . 71.01 112.588 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -99.41 157.28 16.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.033 0.444 . . . . 51.44 111.12 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -99.37 113.32 25.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.872 -0.604 . . . . 55.01 109.416 171.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD13 ' HG2' ' A' ' 31' ' ' MET . 65.4 mt -102.59 128.26 49.33 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.639 -0.709 . . . . 74.34 110.631 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 p -90.62 109.72 20.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.123 -0.489 . . . . 64.44 109.863 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.6 tp -106.7 139.73 40.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.176 -0.466 . . . . 62.22 110.631 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.487 ' HG3' ' H ' ' A' ' 65' ' ' SER . 5.2 tpp180 -64.05 137.29 57.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 72.33 109.702 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.69 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 21.9 ptmt -55.6 -36.08 66.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.536 0.208 . . . . 74.31 110.75 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.487 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 40.2 t -61.12 -33.5 73.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.065 -0.516 . . . . 71.22 110.73 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -75.49 -40.13 57.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.308 -0.405 . . . . 72.23 110.019 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.96 85.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 52.42 111.114 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.041 ' HB3' ' HD3' ' A' ' 5' ' ' ARG . 6.0 pt-20 -76.8 0.94 18.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 54.15 111.458 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.4 ttm -111.84 -1.13 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.458 0.647 . . . . 73.55 109.677 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 66' ' ' ALA . 66.7 mt -103.69 130.36 54.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.828 -0.624 . . . . 63.13 110.17 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.6 tt0 -97.85 116.82 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.64 . . . . 74.23 109.926 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.723 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.6 m -130.83 -178.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.198 0.523 . . . . 75.02 111.075 -177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.15 144.66 40.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.538 -0.755 . . . . 74.22 109.047 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.536 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -69.29 113.7 6.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.246 -0.65 . . . . 64.24 109.246 -178.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 12' ' ' THR . 17.4 mm-40 -64.85 100.5 0.41 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.354 0.597 . . . . 73.02 110.592 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -62.58 112.4 2.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.985 -1.007 . . . . 62.13 108.507 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -110.71 86.69 2.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.528 0.68 . . . . 63.44 111.735 -172.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -122.52 -37.72 2.75 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.439 -0.949 . . . . 72.55 108.439 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 56.97 38.17 29.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.814 -1.084 . . . . 63.33 112.382 170.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -168.45 125.81 1.07 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.262 -0.273 . . . . 63.13 110.262 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.663 -0.684 . . . . 63.25 109.519 177.02 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.026 -0.361 . . . . 73.13 110.026 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -120.13 97.82 5.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.354 0.597 . . . . 72.34 109.901 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.526 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 14.5 m -86.72 158.54 19.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.382 -0.827 . . . . 74.1 110.158 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.549 HD13 HG11 ' A' ' 72' ' ' VAL . 38.1 tp -58.98 -25.4 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.104 0.478 . . . . 73.53 110.278 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HD3' ' HG2' ' A' ' 68' ' ' GLU . 46.4 ttp180 -53.5 -34.43 58.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.375 -0.83 . . . . 73.14 111.696 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -7.18 58.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 73.14 111.959 -173.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.42 142.09 36.26 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.13 -0.322 . . . . 75.13 110.13 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -98.85 154.31 18.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.899 0.38 . . . . 74.2 110.51 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -65.97 125.5 25.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 70.14 110.429 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.59 8.85 27.92 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.64 -0.79 . . . . 71.53 112.416 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -114.69 163.97 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.372 . . . . 51.12 110.392 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -122.7 115.37 21.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 41.44 109.986 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG22 HD11 ' A' ' 41' ' ' ILE . 34.0 m -119.04 161.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.378 -0.374 . . . . 61.22 110.405 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -119.89 143.18 48.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.915 0.388 . . . . 74.13 110.324 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 33' ' ' ILE . 57.5 t -79.16 129.3 37.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.597 -0.729 . . . . 75.3 110.445 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -114.71 -41.0 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.236 0.458 . . . . 65.23 112.236 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 81.1 tttt -139.26 125.25 19.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.272 0.558 . . . . 62.33 111.006 -176.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.73 115.65 29.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.0 -0.545 . . . . 61.25 110.031 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -93.37 153.36 18.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.361 -0.381 . . . . 71.34 110.222 -178.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.34 -167.43 12.97 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.635 -0.793 . . . . 54.42 113.206 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -86.68 173.95 9.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.557 0.217 . . . . 72.24 110.81 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.81 -41.23 99.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.077 -0.582 . . . . 63.04 112.21 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.65 90.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.91 0.386 . . . . 72.4 111.109 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.3 mm? -70.99 -43.57 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 63.42 110.861 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -60.63 -43.12 97.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.92 0.39 . . . . 74.14 110.319 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -60.81 -39.11 87.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.917 -0.583 . . . . 72.1 111.344 177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -62.65 -47.69 82.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 62.12 110.556 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.642 HG22 ' HB ' ' A' ' 33' ' ' ILE . 76.8 mt -61.41 -44.42 98.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 70.44 110.748 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.564 ' HG2' HG22 ' A' ' 34' ' ' THR . 66.7 mtt -67.84 -34.82 77.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.249 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.09 -40.19 92.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.02 0.438 . . . . 74.02 110.261 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.613 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 64.5 mtm -68.19 -25.15 65.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 71.41 110.897 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.02 6.66 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.735 -0.745 . . . . 50.04 112.987 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.642 ' HB ' HG22 ' A' ' 28' ' ' ILE . 55.1 mt -102.95 108.78 25.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 64.04 111.681 -175.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.564 HG22 ' HG2' ' A' ' 29' ' ' MET . 57.2 p -121.29 177.1 5.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.097 -0.705 . . . . 72.22 109.097 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 -72.82 135.03 45.14 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.518 -0.473 . . . . 75.13 110.31 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.27 -10.21 67.41 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.651 . . . . 53.11 112.271 -177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -79.25 145.3 33.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 74.25 110.791 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -98.88 136.07 39.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.555 -0.748 . . . . 71.21 110.277 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.427 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 61.3 mt -120.76 122.32 67.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.764 -0.653 . . . . 71.45 110.16 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -90.96 102.32 15.08 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.021 -0.733 . . . . 64.31 109.021 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 41' ' ' ILE . 3.9 mp -69.46 116.39 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.394 -0.595 . . . . 72.45 109.394 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -91.68 -48.02 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.586 -0.734 . . . . 64.3 111.129 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -152.28 117.45 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 53.34 111.298 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.515 HG22 HG23 ' A' ' 51' ' ' ILE . 51.3 t -103.88 134.77 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.549 -0.537 . . . . 73.31 109.549 175.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -87.88 143.56 33.57 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.689 -0.485 . . . . 72.24 109.689 173.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 31.3 Cg_exo -61.29 -21.79 72.75 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.947 2.431 . . . . 73.13 112.713 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -73.82 -24.39 59.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.228 0.537 . . . . 62.43 110.313 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.35 -11.69 43.54 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.769 -0.729 . . . . 45.3 111.466 -174.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 4.2 p-10 -149.69 142.89 16.22 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 110.213 -0.292 . . . . 73.14 110.213 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 93.5 Cg_endo -89.37 155.5 33.15 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.058 -1.643 . . . . 63.5 112.325 -4.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.515 HG23 HG22 ' A' ' 44' ' ' VAL . 64.3 mt -109.62 111.1 34.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.083 -0.508 . . . . 74.35 109.993 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.57 118.51 24.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.094 -0.503 . . . . 73.25 109.884 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.427 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.5 pt -122.78 136.92 58.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.047 -0.524 . . . . 75.34 110.141 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -94.1 110.38 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.657 -0.497 . . . . 74.25 109.657 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.681 HG12 ' HG3' ' A' ' 56' ' ' ARG . 53.9 t -120.52 120.77 63.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 72.22 110.356 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.681 ' HG3' HG12 ' A' ' 55' ' ' VAL . 31.6 mtm180 60.38 21.38 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 64.54 111.813 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.87 -1.42 57.99 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.673 -0.775 . . . . 50.33 112.847 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -116.6 131.41 56.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.824 0.345 . . . . 75.43 110.227 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.91 111.17 19.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.656 0.741 . . . . 75.33 111.119 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 mt -95.91 127.48 41.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.119 -0.946 . . . . 51.4 110.314 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 p -89.39 105.96 18.13 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.358 -0.608 . . . . 60.34 109.358 173.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -112.74 130.52 56.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.14 -0.482 . . . . 61.3 109.812 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.83 169.25 15.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.716 0.293 . . . . 74.15 110.615 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 19.1 ptpt -56.94 -35.4 69.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.925 -0.579 . . . . 54.5 111.976 -173.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.8 m -53.81 -53.9 45.95 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.212 0.32 . . . . 72.35 111.528 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.72 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.147 -0.221 . . . . 63.04 111.361 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.45 67.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.805 0.336 . . . . 74.4 111.377 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 58.9 mt-10 -78.86 -25.44 44.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.038 0.446 . . . . 50.03 110.401 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 83.9 mtp -84.66 -11.74 55.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.853 -0.612 . . . . 71.25 111.421 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.465 HG22 HG13 ' A' ' 72' ' ' VAL . 61.4 mt -97.15 112.45 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.808 0.337 . . . . 62.43 110.77 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 10.8 tp10 -82.58 117.07 22.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.739 -0.837 . . . . 71.02 108.739 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.549 HG11 HD13 ' A' ' 4' ' ' LEU . 22.6 m -121.45 158.65 24.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.592 0.711 . . . . 61.11 111.679 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -130.44 142.26 50.5 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.08 -0.964 . . . . 73.04 109.362 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.47 HD13 HG12 ' A' ' 13' ' ' VAL . 4.1 mm? -68.92 171.14 8.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.051 0.453 . . . . 73.02 111.205 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.12 171.81 7.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.881 -0.6 . . . . 61.23 110.818 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -127.79 33.17 4.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.932 0.396 . . . . 70.01 110.202 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -66.34 -25.7 66.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.556 -0.747 . . . . 74.01 110.506 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -87.06 12.91 10.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.506 0.67 . . . . 75.12 110.203 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -131.26 -64.9 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.76 . . . . 73.32 109.871 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 53.35 77.56 0.17 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.107 -0.951 . . . . 71.33 110.929 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.226 -0.892 . . . . 71.52 110.267 -178.223 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.674 0.273 . . . . 74.44 110.577 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -117.61 111.22 18.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 75.24 109.051 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 16.9 p -86.7 149.44 24.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.151 -0.477 . . . . 51.34 111.061 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 13' ' ' VAL . 55.1 tp -64.31 -24.18 67.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.854 -0.612 . . . . 62.23 110.869 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.556 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 3.0 tmm_? -70.7 -19.0 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 74.11 111.072 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -88.15 -13.34 41.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.108 0.48 . . . . 52.55 110.618 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.82 143.21 49.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.981 -0.554 . . . . 54.1 110.093 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.06 157.15 16.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.291 0.567 . . . . 54.34 111.273 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 1.8 p -66.98 125.52 26.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 72.22 111.043 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.2 -2.63 29.77 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.811 -0.709 . . . . 52.05 111.922 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -106.12 165.55 11.15 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.159 -0.311 . . . . 70.34 110.159 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.2 m -125.42 122.23 36.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.995 0.426 . . . . 74.13 110.525 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.723 HG12 HD22 ' A' ' 74' ' ' LEU . 33.6 m -114.69 173.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.065 -0.516 . . . . 64.33 110.925 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -127.52 131.95 50.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.896 -0.593 . . . . 73.33 109.632 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.602 ' HA ' HG12 ' A' ' 72' ' ' VAL . 46.8 t -77.68 114.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.36 -0.607 . . . . 55.25 109.36 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -108.64 -39.07 4.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.912 0.387 . . . . 73.33 111.624 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 86.7 tttt -142.23 152.93 43.56 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.164 -0.471 . . . . 73.15 109.774 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -132.09 111.96 11.92 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 64.21 109.829 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -82.25 -85.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.757 -0.46 . . . . 65.11 109.757 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' A' ' 69' ' ' MET . . . 55.94 -144.07 35.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.738 -0.665 . . . . 72.42 113.067 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 p -118.23 14.1 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.213 0.53 . . . . 63.21 110.498 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' HA2' ' HD3' ' A' ' 25' ' ' LYS . . . 87.96 -60.78 4.11 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.794 -0.717 . . . . 44.03 111.578 -173.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -27.6 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 73.41 110.831 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 66' ' ' ALA . 54.1 tp -68.79 -33.83 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 74.24 110.384 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD3' ' HA2' ' A' ' 22' ' ' GLY . 9.1 mtpm? -61.1 -46.26 91.34 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.104 -0.498 . . . . 60.22 110.689 -178.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -61.37 -41.27 96.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.891 -0.595 . . . . 41.55 110.686 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -62.64 -42.01 99.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 61.31 110.9 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.523 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 74.1 mt -65.15 -45.46 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 73.21 110.534 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.533 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 70.5 mtm -63.38 -32.59 74.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 54.51 111.348 -178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.58 -35.53 72.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 70.34 111.288 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.523 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 65.3 mtm -76.67 -4.64 44.21 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.434 -0.348 . . . . 73.04 111.346 -177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.47 2.33 47.23 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.931 -0.652 . . . . 61.21 111.928 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 29' ' ' MET . 36.1 mm -101.19 108.1 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.754 0.311 . . . . 72.04 110.549 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -136.75 176.17 8.95 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 110.117 -0.327 . . . . 61.52 110.117 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -69.19 117.26 10.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.098 -0.501 . . . . 74.23 110.187 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.35 -10.52 11.62 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.122 -0.561 . . . . 43.03 112.264 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.9 m -90.46 148.13 22.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 72.24 111.126 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -97.2 143.93 27.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.31 176.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.426 HG12 HG21 ' A' ' 55' ' ' VAL . 43.1 mt -126.21 120.17 56.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.149 0.499 . . . . 74.11 111.025 -177.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -95.81 108.14 20.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.138 -0.69 . . . . 73.11 109.138 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.2 mp -77.46 125.5 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 61.44 110.118 -176.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HB2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 mmm180 -87.71 -57.04 3.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.802 -0.635 . . . . 63.41 111.214 -175.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 36.8 ttmt -150.52 137.78 19.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.458 -0.337 . . . . 75.31 110.459 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -117.55 138.41 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.234 -0.654 . . . . 52.31 109.234 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.12 145.23 56.0 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.371 -0.233 . . . . 54.43 110.371 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.5 -20.44 56.98 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.04 2.494 . . . . 74.22 112.937 -178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -104.32 0.23 28.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 70.51 110.782 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.923 ' HA3' ' HD3' ' A' ' 64' ' ' LYS . . . 126.11 -90.69 0.38 Allowed Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 121.111 -0.566 . . . . 72.01 112.574 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.787 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 5.3 p-10 -107.51 165.32 13.01 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 120.514 0.197 . . . . 64.53 110.733 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.787 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.9 Cg_endo -75.64 137.27 48.88 Favored 'Cis proline' 0 C--N 1.343 0.24 0 C-N-CA 123.318 -1.534 . . . . 72.34 112.982 2.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -94.65 112.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.661 -0.7 . . . . 73.34 109.404 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.708 ' HB3' ' HB2' ' A' ' 42' ' ' ARG . 21.5 mm-40 -79.43 114.27 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.897 -0.592 . . . . 74.02 110.694 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.509 HG13 ' HB2' ' A' ' 60' ' ' LEU . 39.1 pt -122.68 136.29 59.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.887 -0.412 . . . . 74.1 109.887 175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -108.45 109.82 21.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.032 -0.358 . . . . 70.45 110.032 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.72 HG12 ' HG2' ' A' ' 56' ' ' ARG . 58.4 t -136.5 133.99 49.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.068 -0.514 . . . . 72.43 110.184 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.72 ' HG2' HG12 ' A' ' 55' ' ' VAL . 4.2 mmp_? 63.44 18.31 10.95 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.962 -0.563 . . . . 73.45 111.083 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.32 67.78 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.089 -0.577 . . . . 74.14 112.303 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -87.28 136.99 32.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.839 0.352 . . . . 74.02 110.774 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -90.16 112.86 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.765 -0.828 . . . . 74.44 108.765 172.305 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HB2' HG13 ' A' ' 53' ' ' ILE . 85.6 mt -109.69 127.77 54.81 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.763 -0.653 . . . . 74.4 111.421 -173.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -93.9 105.76 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 74.33 109.494 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.9 tp -105.43 134.7 48.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.908 0.385 . . . . 72.33 110.513 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -74.57 142.49 44.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 73.3 109.64 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.923 ' HD3' ' HA3' ' A' ' 48' ' ' GLY . 18.6 pttp -67.52 -24.99 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.826 -0.35 . . . . 73.05 111.009 -175.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -52.82 -36.55 58.74 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.057 0.456 . . . . 54.41 110.41 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.596 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . -77.84 -50.16 12.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 60.25 111.025 174.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -61.59 -29.25 69.91 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.69 0.626 . . . . 42.2 112.69 -172.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 42.4 mt-10 -76.63 -12.05 59.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.886 0.374 . . . . 75.41 111.197 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.454 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 1.1 mpt? -107.05 1.25 24.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.506 . . . . 72.31 110.789 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.642 HG22 HG13 ' A' ' 72' ' ' VAL . 73.5 mt -91.08 133.6 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.573 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.715 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 5.2 tp10 -99.46 109.53 22.09 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.561 -0.533 . . . . 73.33 109.561 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.642 HG13 HG22 ' A' ' 70' ' ' ILE . 30.5 m -126.78 164.51 27.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.033 0.444 . . . . 62.22 111.072 -178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -116.29 144.47 44.19 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.364 -0.606 . . . . 75.4 109.364 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.723 HD22 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -84.99 49.19 1.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.503 -0.554 . . . . 74.24 109.503 179.183 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 56.26 90.92 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.928 -0.578 . . . . 64.42 109.492 -175.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -151.47 -32.41 0.15 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.428 0.529 . . . . 74.12 112.428 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -82.15 70.75 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.998 0.427 . . . . 62.11 111.67 -172.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 45.0 68.44 0.56 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.781 -1.1 . . . . 64.44 113.261 170.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -137.55 81.7 1.88 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.428 -0.582 . . . . 72.12 109.428 170.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -66.79 127.73 33.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.267 -0.879 . . . . 64.12 111.114 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.246 0.895 0 CA-C-N 115.571 -0.74 . . . . 72.33 109.662 177.295 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.859 0.361 . . . . 53.42 110.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -105.43 113.91 27.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.166 -0.679 . . . . 72.43 109.166 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -96.4 172.74 7.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.826 0.346 . . . . 52.33 110.629 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.467 HD13 HG11 ' A' ' 72' ' ' VAL . 32.4 tp -70.71 -16.18 62.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.253 0.549 . . . . 75.21 110.146 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 5' ' ' ARG . 15.2 tpt180 -83.63 -14.48 51.84 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.958 -0.565 . . . . 74.12 110.103 177.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -81.76 -21.6 37.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.085 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.433 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . -83.19 151.7 25.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.023 -0.535 . . . . 65.12 110.966 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 7' ' ' ALA . 13.5 mptt -118.02 173.7 6.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 74.33 110.978 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.707 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 1.8 p -64.03 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.8 -0.636 . . . . 72.03 111.539 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.68 -15.26 63.71 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.726 -0.67 . . . . 72.04 112.27 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -93.6 126.27 38.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.043 0.449 . . . . 64.54 110.956 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -92.99 118.08 30.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.599 -0.728 . . . . 73.23 110.39 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.417 HG12 HD13 ' A' ' 74' ' ' LEU . 35.4 m -118.91 165.56 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.236 -0.438 . . . . 62.43 110.544 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -121.32 128.71 52.57 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.886 -0.413 . . . . 70.35 109.886 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.623 ' HA ' HG12 ' A' ' 72' ' ' VAL . 61.9 t -70.45 126.27 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.42 . . . . 63.13 110.547 -178.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -117.6 -39.22 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.152 0.427 . . . . 63.23 112.152 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.848 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 12.0 mptt -132.25 140.86 48.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 73.32 111.041 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.485 ' CD2' HD12 ' A' ' 70' ' ' ILE . 81.6 mt -113.71 103.24 11.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.038 -0.727 . . . . 75.33 109.038 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.419 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 36.4 m-70 -85.93 -85.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 64.11 110.275 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.804 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . 59.76 -159.17 22.7 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.128 -0.558 . . . . 43.32 113.405 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.624 HG22 HD23 ' A' ' 24' ' ' LEU . 15.0 t -121.82 21.72 10.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.776 0.798 . . . . 73.44 109.871 177.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.5 -63.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 70.53 112.361 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.69 -37.65 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.088 0.47 . . . . 63.43 111.325 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.624 HD23 HG22 ' A' ' 21' ' ' THR . 4.1 mm? -62.66 -39.85 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 54.31 111.09 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HE3' ' O ' ' A' ' 19' ' ' HIS . 98.7 mttt -55.24 -52.96 61.71 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.327 0.392 . . . . 74.04 110.885 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -59.25 -52.42 65.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.95 -0.568 . . . . 73.01 111.333 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.643 ' O ' ' HG3' ' A' ' 31' ' ' MET . 41.9 mtp180 -59.14 -48.69 80.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.271 -0.422 . . . . 73.24 111.514 -176.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.591 ' CD1' HD11 ' A' ' 70' ' ' ILE . 77.0 mt -63.74 -32.93 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.009 0.433 . . . . 72.2 110.65 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtm -70.19 -40.75 74.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 63.3 110.771 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.35 -30.91 70.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 73.51 111.292 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 39.9 mtt -66.69 -22.79 66.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 60.15 110.907 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.71 5.09 26.08 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.412 -0.675 . . . . 70.23 111.412 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.461 HD12 HD11 ' A' ' 39' ' ' ILE . 47.5 mm -98.18 111.5 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 65.42 110.557 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -127.25 173.91 9.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.379 -0.373 . . . . 55.2 110.315 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 35' ' ' ARG . 11.9 mtp180 -68.24 120.23 14.06 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.571 -0.529 . . . . 72.12 109.571 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.86 6.25 30.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.841 -0.695 . . . . 74.52 112.264 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.86 144.36 30.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.598 0.237 . . . . 60.35 110.726 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -89.42 142.34 27.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.299 -0.409 . . . . 64.1 110.428 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 33' ' ' ILE . 56.5 mt -142.45 129.99 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.759 -0.655 . . . . 33.24 109.367 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.604 ' CE1' ' HB3' ' A' ' 54' ' ' ASN . 6.2 p90 -116.43 135.5 53.79 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.982 -0.748 . . . . 75.54 108.982 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.707 ' HB ' ' HA ' ' A' ' 9' ' ' CYS . 27.4 mm -70.34 118.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.667 -0.494 . . . . 74.41 109.667 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' H ' ' HA ' ' A' ' 53' ' ' ILE . 11.8 tpt180 -73.47 -57.99 3.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.933 -0.576 . . . . 73.21 109.778 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -155.35 145.73 21.95 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.974 -0.557 . . . . 71.31 109.728 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 51' ' ' ILE . 55.4 t -110.37 126.78 67.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.424 -0.584 . . . . 75.23 109.424 176.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.66 144.86 63.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 62.35 110.122 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.5 -21.7 25.07 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.155 2.57 . . . . 73.24 113.433 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.757 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.5 pt? -101.96 3.78 39.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.621 -0.263 . . . . 71.32 111.563 -178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.37 -23.6 17.99 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.983 -0.627 . . . . 61.41 112.894 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 15.1 t70 -127.02 124.7 24.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 110.24 -0.281 . . . . 73.0 110.24 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 49' ' ' ASP . 94.9 Cg_endo -96.79 -165.41 1.08 Allowed 'Cis proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.635 -1.402 . . . . 74.43 112.55 -2.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG22 HG13 ' A' ' 44' ' ' VAL . 17.2 pt -116.67 135.04 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.122 0.487 . . . . 64.32 110.342 175.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -97.79 128.03 44.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.858 -0.61 . . . . 75.35 109.593 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.472 ' HA ' ' H ' ' A' ' 42' ' ' ARG . 39.4 pt -124.76 156.51 33.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.764 -0.458 . . . . 60.21 109.764 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.604 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 18.1 t-20 -119.51 110.3 16.73 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.717 -0.475 . . . . 63.32 109.717 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.827 HG12 ' HG2' ' A' ' 56' ' ' ARG . 22.0 t -138.12 136.01 44.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.102 -0.499 . . . . 71.31 110.139 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.827 ' HG2' HG12 ' A' ' 55' ' ' VAL . 13.0 mmt85 67.52 11.92 8.62 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.729 0.411 . . . . 72.12 111.409 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.25 -2.62 71.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.054 -0.593 . . . . 74.45 112.137 -175.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -107.76 139.29 42.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.971 0.415 . . . . 72.43 110.925 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.81 110.12 21.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.476 0.655 . . . . 64.11 109.801 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 mt -105.42 152.2 23.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.465 -0.789 . . . . 74.34 109.58 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -127.72 114.96 17.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.617 -0.433 . . . . 62.24 110.158 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.92 141.09 38.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.954 -0.566 . . . . 63.23 109.974 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -72.25 155.56 40.07 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.632 -0.427 . . . . 71.21 109.963 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -56.34 -34.68 66.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.521 . . . . 73.5 111.565 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -60.7 -39.84 90.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 42.22 111.409 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.585 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -75.43 -33.95 60.96 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.047 -0.353 . . . . 55.22 110.047 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' HD11 ' A' ' 51' ' ' ILE . . . -60.62 -43.45 97.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.855 -0.611 . . . . 62.31 111.399 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.11 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.251 -0.431 . . . . 71.45 111.292 -178.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.804 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 64.6 mtt -91.03 -11.16 39.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 74.13 110.627 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 28' ' ' ILE . 36.7 mm -98.27 129.74 48.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.107 -0.497 . . . . 62.25 110.261 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.848 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.4 tt0 -102.04 125.04 48.63 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 74.14 109.628 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 15' ' ' VAL . 29.3 m -132.3 174.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.14 0.495 . . . . 74.32 111.331 -175.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -139.15 143.04 38.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.38 -0.827 . . . . 65.13 109.492 177.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.417 HD13 HG12 ' A' ' 13' ' ' VAL . 4.4 mm? -69.51 133.6 47.88 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.444 -0.206 . . . . 60.21 110.444 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.3 102.25 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.779 -0.822 . . . . 74.52 108.779 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -163.54 71.15 0.24 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.572 -0.899 . . . . 75.33 108.572 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -47.47 112.71 0.58 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.456 -1.247 . . . . 61.11 112.612 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -126.21 151.85 46.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 71.43 110.786 174.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -127.83 102.87 6.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.663 -0.699 . . . . 71.54 109.548 172.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -156.49 142.39 17.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.105 -0.498 . . . . 65.21 109.906 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 39.9 m170 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.486 -0.768 . . . . 71.2 109.136 176.552 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.443 ' HE2' ' HB2' ' A' ' 1' ' ' MET . 22.4 ptm . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 109.9 -0.407 . . . . 54.04 109.9 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -129.07 93.14 3.52 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.263 -0.643 . . . . 72.51 109.263 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 m -114.06 -176.83 2.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 73.03 110.938 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.606 HD21 HG21 ' A' ' 53' ' ' ILE . 19.4 tp -61.62 -22.32 65.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.782 -0.645 . . . . 73.33 111.009 -178.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HG2' ' HB3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -78.67 -12.66 60.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.819 -0.628 . . . . 52.44 110.871 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.425 ' CG ' ' HE ' ' A' ' 5' ' ' ARG . 4.1 m-20 -91.82 -18.77 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 54.42 111.748 -174.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.94 179.39 7.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.194 0.521 . . . . 65.23 112.11 -173.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -107.5 -176.65 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 72.11 110.149 -178.185 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.517 ' SG ' ' HB ' ' A' ' 44' ' ' VAL . 36.0 m -82.37 141.21 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 62.54 110.66 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.87 5.58 89.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.961 -0.638 . . . . 74.31 112.805 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.526 HE21 HD11 ' A' ' 74' ' ' LEU . 15.9 mm100 -87.17 146.33 26.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 73.3 111.241 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 m -103.41 106.79 17.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 74.1 109.801 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -113.01 159.7 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.329 -0.396 . . . . 72.33 110.477 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -120.04 141.92 49.31 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.802 0.334 . . . . 74.13 111.004 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.62 132.54 31.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.887 -0.597 . . . . 74.24 111.233 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 m -118.02 -42.84 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.033 0.383 . . . . 74.3 112.033 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 55.1 mtmt -135.9 161.7 34.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.54 0.21 . . . . 74.34 110.525 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 61.5 mt -134.97 112.57 10.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.17 0.509 . . . . 65.35 111.127 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 69' ' ' MET . 35.7 m-70 -88.99 175.6 7.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.454 -0.793 . . . . 73.24 109.705 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.45 176.29 14.37 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.401 -0.904 . . . . 71.4 112.915 174.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -87.42 24.59 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.022 0.439 . . . . 75.12 111.662 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.58 -55.92 4.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.668 -0.777 . . . . 73.02 111.637 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.45 90.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 43.12 110.552 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.33 -46.93 81.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 71.33 110.613 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 97.2 mttt -53.39 -49.26 67.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.163 -0.472 . . . . 72.14 110.239 177.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -60.25 -51.22 70.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 74.11 110.822 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' A' ' 31' ' ' MET . 10.0 ttm180 -54.78 -47.84 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.759 -0.655 . . . . 74.41 110.826 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.746 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 96.0 mt -58.26 -49.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.856 -0.611 . . . . 71.44 110.929 177.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.4 mtt -62.61 -43.28 99.22 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.095 0.474 . . . . 63.14 110.857 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.43 -0.805 . . . . 73.41 111.414 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.746 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.1 mtm -78.21 -6.15 54.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 64.25 111.116 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.52 4.86 34.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.659 -0.782 . . . . 71.13 112.552 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.706 HG23 HD11 ' A' ' 39' ' ' ILE . 54.0 mt -94.97 95.91 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.311 0.577 . . . . 62.34 110.607 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.3 p -113.86 172.23 7.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.643 -0.708 . . . . 72.02 110.688 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -73.16 117.35 14.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 71.53 110.169 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.55 -15.61 22.06 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.701 -0.762 . . . . 72.01 112.955 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.24 145.23 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.28 0.54 . . . . 72.01 110.688 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.33 113.2 25.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.811 -0.631 . . . . 65.41 110.123 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.706 HD11 HG23 ' A' ' 33' ' ' ILE . 64.6 mt -104.33 116.15 47.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.178 0.513 . . . . 53.21 110.825 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -83.04 113.64 20.73 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.382 -0.826 . . . . 74.34 109.639 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -78.31 119.86 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.946 -0.39 . . . . 73.4 109.946 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.72 ' HG3' ' HG2' ' A' ' 43' ' ' LYS . 18.8 tpp180 -78.55 -58.84 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.897 0.379 . . . . 74.23 110.681 -176.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.72 ' HG2' ' HG3' ' A' ' 42' ' ' ARG . 75.0 mmtt -144.02 134.13 24.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 63.11 110.94 -174.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HB ' ' SG ' ' A' ' 9' ' ' CYS . 57.6 t -120.81 124.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.041 -0.726 . . . . 74.23 109.041 172.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 145.23 89.5 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.641 -0.254 . . . . 52.33 110.873 -178.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.93 -23.51 75.96 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.791 2.327 . . . . 74.51 111.889 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.751 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.2 pt? -92.89 9.88 33.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.775 -0.648 . . . . 71.52 110.57 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -79.66 0.32 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.865 -0.607 . . . . 71.42 111.619 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.632 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.4 p-10 -106.49 160.14 27.32 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 110.111 -0.329 . . . . 74.03 110.111 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.632 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 90.2 Cg_endo -81.15 153.3 81.32 Favored 'Cis proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.166 -1.597 . . . . 52.04 113.152 0.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.448 HG23 HG22 ' A' ' 44' ' ' VAL . 59.1 mt -108.64 115.89 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.83 -0.623 . . . . 73.32 109.743 176.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -98.6 121.48 40.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.668 -0.696 . . . . 74.51 110.291 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 4' ' ' LEU . 30.6 pt -121.22 150.75 24.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.336 -0.393 . . . . 75.24 110.258 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -109.8 110.21 21.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.844 0.354 . . . . 72.51 110.286 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.604 HG12 ' HG2' ' A' ' 56' ' ' ARG . 59.7 t -111.92 128.16 68.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 74.13 109.784 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG2' HG12 ' A' ' 55' ' ' VAL . 21.1 mmt180 66.11 -82.25 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.793 0.683 . . . . 61.33 109.965 -175.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.7 18.07 0.42 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.603 -0.999 . . . . 63.41 110.603 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -124.72 132.72 53.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.619 . . . . 73.21 109.327 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 42' ' ' ARG . 41.5 mt-10 -91.39 130.55 37.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 70.21 111.394 -178.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.06 125.83 52.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.098 -0.956 . . . . 74.32 110.285 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -97.25 107.05 19.48 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.603 -0.517 . . . . 72.14 109.603 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.9 mt -109.58 142.2 41.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.187 -0.46 . . . . 55.3 110.792 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -78.3 171.58 14.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.549 . . . . 75.1 110.26 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -57.33 -37.07 71.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 72.14 110.879 -173.454 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' A' ' 69' ' ' MET . 18.0 m -59.66 -45.25 92.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.408 0.521 . . . . 51.12 112.408 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -31.74 61.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 71.5 110.641 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.29 73.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 75.35 111.214 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.623 ' HB3' ' HG2' ' A' ' 5' ' ' ARG . 6.1 pt-20 -87.71 3.13 49.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 73.23 110.885 177.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 65' ' ' SER . 67.1 mtt -98.39 -27.03 14.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.956 0.408 . . . . 74.54 110.104 174.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.46 HG12 HD13 ' A' ' 28' ' ' ILE . 56.3 mt -85.99 98.33 6.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.312 -0.404 . . . . 74.54 110.406 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.545 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 4.2 tp10 -74.42 123.39 24.59 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.579 -0.897 . . . . 72.4 108.579 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -129.17 -176.88 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.734 0.778 . . . . 73.02 112.217 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -144.3 130.88 20.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.587 -1.188 . . . . 75.44 109.107 175.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.526 HD11 HE21 ' A' ' 11' ' ' GLN . 30.1 tp -103.41 133.56 48.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.328 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.1 141.72 58.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.967 -0.56 . . . . 74.21 110.378 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 79' ' ' HIS . 58.6 m80 -123.25 137.34 54.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.017 -0.538 . . . . 74.44 110.339 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -69.49 -28.96 66.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.387 -0.597 . . . . 75.04 109.387 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -140.79 97.54 3.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.332 -0.849 . . . . 74.44 109.458 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 76' ' ' HIS . 56.1 t-80 -110.27 75.04 0.91 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.971 0.415 . . . . 75.43 110.049 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -170.33 130.17 0.9 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.768 -0.651 . . . . 75.21 109.355 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.536 -0.745 . . . . 63.0 109.95 178.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.59 0.233 . . . . 74.2 110.53 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -109.61 124.28 50.88 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.339 -0.615 . . . . 74.21 109.339 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -105.58 148.83 26.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.673 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.28 -25.56 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.435 0.636 . . . . 71.42 109.737 176.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.866 ' HD2' ' HG3' ' A' ' 68' ' ' GLU . 31.6 ttt-85 -58.9 -23.93 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.049 -0.978 . . . . 74.11 111.285 174.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -114.23 8.22 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.262 0.553 . . . . 73.33 110.841 -172.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 126.83 30.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 73.25 109.905 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 12.2 mptt -77.8 157.02 30.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.188 -0.46 . . . . 71.42 111.3 -175.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.06 130.13 41.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.036 -0.529 . . . . 63.43 110.958 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.16 4.65 59.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.832 -0.699 . . . . 75.5 112.206 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -94.88 156.52 16.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.092 0.473 . . . . 45.04 110.93 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 m -118.68 114.43 22.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.531 -0.759 . . . . 61.04 109.123 173.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.39 162.58 12.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.46 . . . . 71.15 111.474 -174.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 38' ' ' GLU . 2.5 tpmt? -119.27 120.34 36.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.56 -0.746 . . . . 75.34 109.473 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.597 ' HA ' HG12 ' A' ' 72' ' ' VAL . 53.0 t -69.34 125.51 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 110.364 -0.236 . . . . 73.24 110.364 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG23 ' HG2' ' A' ' 71' ' ' GLU . 10.7 m -120.33 -41.95 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.308 0.485 . . . . 75.22 112.308 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.798 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . 60.9 mttp -132.09 150.42 52.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.04 0.448 . . . . 73.03 111.035 -177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -126.48 95.28 4.31 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.412 -0.588 . . . . 63.23 109.412 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -85.42 2.32 44.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.874 -172.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' HA2' ' SD ' ' A' ' 69' ' ' MET . . . -65.67 -45.16 90.65 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.79 -0.719 . . . . 65.23 111.808 176.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.429 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 10.7 m 75.23 133.42 0.05 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.21 0.604 . . . . 75.54 112.431 174.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 26' ' ' ARG . . . 55.87 -107.1 0.73 Allowed Glycine 0 C--N 1.334 0.462 0 CA-C-N 115.528 -0.76 . . . . 72.23 113.694 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.74 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.168 0.508 . . . . 72.43 111.733 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.85 -45.47 64.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 72.14 110.637 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 21' ' ' THR . 96.4 mttt -58.25 -48.6 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 74.12 110.839 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 22' ' ' GLY . 30.5 mmm-85 -57.69 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.01 111.616 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -57.7 -45.1 86.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.838 0.352 . . . . 72.31 110.859 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.616 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 94.9 mt -63.97 -46.48 93.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.084 -0.507 . . . . 75.11 110.962 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.92 -34.79 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 74.33 111.236 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.81 -29.93 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 73.33 110.945 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.616 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 63.8 mtm -81.02 2.43 27.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.07 -0.514 . . . . 62.2 110.905 178.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.98 -5.31 59.45 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.898 -0.668 . . . . 50.23 112.509 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.577 HG12 HG11 ' A' ' 55' ' ' VAL . 27.5 mt -86.25 95.26 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.446 . . . . 74.15 109.979 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 p -118.77 154.01 33.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 62.12 110.67 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -60.67 121.27 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 71.14 110.006 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.02 -18.79 9.64 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.862 -0.685 . . . . 75.3 112.104 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -84.45 167.39 16.46 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.875 0.369 . . . . 74.13 110.712 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . 8.2 pt-20 -117.41 140.95 48.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.053 -0.521 . . . . 71.44 110.355 178.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 55' ' ' VAL . 55.8 mt -124.54 130.18 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.956 -0.566 . . . . 71.34 110.401 -174.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -100.09 120.71 40.27 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.579 -0.737 . . . . 72.52 109.533 173.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.8 mp -94.97 125.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.249 -0.432 . . . . 63.44 110.034 -177.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 54' ' ' ASN . 1.2 mpt_? -97.51 -57.33 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.986 0.422 . . . . 64.42 111.226 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 59.3 mmtt -121.8 130.33 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.102 -0.499 . . . . 74.13 112.246 -172.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.2 t -122.25 123.91 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.925 -1.034 . . . . 73.13 108.377 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 150.12 91.79 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.648 -0.251 . . . . 71.53 110.972 -176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.52 -17.75 55.76 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.91 2.407 . . . . 73.24 112.66 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.739 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.3 pt? -111.09 6.21 20.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.434 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.48 -78.83 0.25 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 121.03 -0.605 . . . . 74.52 112.645 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.772 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 9.2 p-10 -91.07 149.42 39.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.675 0.274 . . . . 65.23 111.221 -175.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -93.85 157.84 18.3 Favored 'Cis proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.942 -1.274 . . . . 64.41 112.712 -2.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.424 HG22 HG23 ' A' ' 53' ' ' ILE . 63.6 mt -105.08 129.69 57.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.032 -0.531 . . . . 72.41 110.504 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 2.0 mp0 -99.67 112.77 24.97 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.288 -0.415 . . . . 63.01 110.472 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 34.8 pt -125.78 163.74 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 73.22 110.87 -178.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 27.0 t-20 -120.22 122.8 41.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 73.21 110.076 177.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.737 HG12 ' HG2' ' A' ' 56' ' ' ARG . 40.0 t -132.58 129.19 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 75.42 109.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.737 ' HG2' HG12 ' A' ' 55' ' ' VAL . 36.4 mmt180 67.0 9.69 7.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.319 0.387 . . . . 72.13 111.178 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.27 -16.04 60.51 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.627 -0.589 . . . . 55.43 111.627 -175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.451 ' HD2' ' HB2' ' A' ' 56' ' ' ARG . 93.1 m-85 -86.83 152.93 22.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.419 . . . . 74.53 110.72 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -85.56 122.45 29.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 75.3 110.042 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' HG ' HD11 ' A' ' 33' ' ' ILE . 3.6 mm? -119.04 131.32 55.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.251 0.548 . . . . 74.24 110.849 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -122.24 106.67 11.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.804 -0.635 . . . . 61.32 109.722 176.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.2 mt -109.72 149.61 29.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.938 0.399 . . . . 75.34 111.055 -176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 5.6 tpp180 -73.55 163.77 27.56 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.88 -0.6 . . . . 71.4 109.939 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.772 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 33.0 ttmt -46.65 -45.03 18.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.135 -0.939 . . . . 75.22 111.606 175.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 p -56.43 -50.69 70.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.73 -0.668 . . . . 50.4 112.464 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -64.81 -51.93 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.592 -0.276 . . . . 73.43 111.392 -176.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.56 -30.9 67.5 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.777 0.798 . . . . 43.24 110.982 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.866 ' HG3' ' HD2' ' A' ' 5' ' ' ARG . 32.4 tt0 -69.91 -26.99 64.42 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.458 -1.246 . . . . 73.41 111.28 -175.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.453 ' SD ' ' HA2' ' A' ' 20' ' ' GLY . 65.4 mtt -96.48 -3.93 42.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.073 0.464 . . . . 74.33 111.127 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.459 HG22 HG13 ' A' ' 72' ' ' VAL . 70.5 mt -92.17 121.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 64.31 110.494 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.798 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 3.8 tt0 -97.68 118.9 35.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.585 -0.524 . . . . 73.21 109.585 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.7 m -124.29 163.73 23.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.635 -0.711 . . . . 74.32 110.009 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 1.003 ' HG2' ' HB2' ' A' ' 76' ' ' HIS . 8.2 tp10 -117.54 153.02 33.91 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.675 -0.693 . . . . 71.01 109.137 179.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.78 55.68 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 71.52 110.41 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 63.1 81.78 0.2 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.974 -1.012 . . . . 64.44 111.27 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 1.003 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -103.87 116.42 32.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.715 -0.846 . . . . 73.4 108.715 175.69 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 76' ' ' HIS . 25.1 m-70 72.95 144.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.864 0.727 . . . . 61.42 110.579 -174.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -110.54 -41.48 4.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.277 0.56 . . . . 64.33 109.873 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -157.92 150.11 22.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.521 -0.763 . . . . 71.31 109.074 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -68.57 117.6 10.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.851 0.358 . . . . 75.43 111.406 -173.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.9 t60 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.347 -0.835 . . . . 74.31 109.358 173.833 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 110.129 -0.323 . . . . 74.23 110.129 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -120.41 111.5 17.82 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.201 -0.666 . . . . 53.22 109.201 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -85.18 160.44 19.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.972 0.415 . . . . 62.12 111.671 -174.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.719 HD13 HG11 ' A' ' 72' ' ' VAL . 47.3 tp -67.39 -31.2 71.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.91 -0.586 . . . . 64.52 110.646 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.07 ' HG2' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -73.81 -6.56 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 74.51 110.852 179.053 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -96.15 0.29 51.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.729 0.776 . . . . 70.34 109.689 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.27 133.6 34.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.792 . . . . 55.35 110.541 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -78.86 161.84 26.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 73.41 111.502 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 t -65.92 132.24 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.265 -0.879 . . . . 74.42 110.762 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.87 3.67 62.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.954 -0.641 . . . . 72.33 112.688 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -108.48 146.81 32.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.898 0.38 . . . . 74.11 110.995 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -104.58 115.21 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 74.42 110.119 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.479 HG12 HD22 ' A' ' 74' ' ' LEU . 20.8 m -115.08 153.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.051 -0.522 . . . . 72.05 110.114 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -108.88 128.33 54.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.484 0.183 . . . . 74.3 111.128 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.861 ' HA ' HG12 ' A' ' 72' ' ' VAL . 65.9 t -70.89 127.7 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 64.15 110.666 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.579 HG23 ' HG3' ' A' ' 71' ' ' GLU . 5.6 m -112.6 -41.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.502 0.556 . . . . 54.45 112.502 -176.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HB3' ' OE1' ' A' ' 71' ' ' GLU . 4.7 mtmt -144.5 153.32 41.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.059 0.457 . . . . 70.34 111.164 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.546 HD23 HG23 ' A' ' 70' ' ' ILE . 66.6 mt -124.18 124.41 42.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.565 -0.743 . . . . 61.03 110.257 -177.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.557 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 67.7 m-70 -93.24 152.55 19.12 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.752 -0.462 . . . . 62.25 109.752 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.67 161.25 9.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.64 -0.79 . . . . 70.21 112.387 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -90.25 55.27 3.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.913 0.863 . . . . 53.4 111.269 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.16 -64.99 2.71 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.785 -0.643 . . . . 40.14 113.009 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.3 98.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 63.12 111.131 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 49.9 tp -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 71.42 110.498 178.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 18' ' ' LEU . 94.2 mttt -59.97 -46.87 88.04 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-O 120.888 0.375 . . . . 75.31 110.482 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -59.11 -45.26 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 61.13 110.863 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -55.02 -51.51 66.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 60.32 110.751 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.655 HG22 ' HB ' ' A' ' 33' ' ' ILE . 81.5 mt -56.97 -45.38 83.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.924 -0.58 . . . . 73.45 111.14 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 61.9 mtm -70.51 -29.24 65.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 73.23 111.441 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.98 -38.35 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 53.12 110.945 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.52 ' HB3' HD13 ' A' ' 60' ' ' LEU . 3.9 mpp? -70.05 -17.99 63.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.809 0.338 . . . . 74.45 111.021 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.64 -5.93 14.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.835 -0.697 . . . . 73.11 112.288 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.657 HG23 HD11 ' A' ' 39' ' ' ILE . 18.0 mm -82.39 108.65 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.774 0.321 . . . . 74.21 110.216 -177.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -142.55 -179.42 6.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.706 -0.398 . . . . 70.54 110.663 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -75.89 125.67 29.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.77 0.319 . . . . 64.32 110.718 -174.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.57 7.43 51.29 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.834 -0.698 . . . . 54.3 113.174 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.65 140.74 35.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.068 0.434 . . . . 71.12 110.484 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.1 mp0 -90.66 129.78 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.807 -0.442 . . . . 74.33 109.807 175.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.657 HD11 HG23 ' A' ' 33' ' ' ILE . 59.6 mt -118.84 118.43 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.108 0.48 . . . . 63.2 110.827 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -80.43 114.85 19.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.61 -0.723 . . . . 51.12 109.542 171.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -76.02 103.33 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.363 -0.606 . . . . 75.14 109.363 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -66.26 -56.2 12.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.906 -0.588 . . . . 72.42 110.821 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -152.52 134.14 14.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.854 0.359 . . . . 73.14 111.373 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -105.74 131.78 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.964 -0.754 . . . . 73.13 108.964 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.78 145.23 70.2 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.675 -0.239 . . . . 74.24 111.072 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.15 -18.38 57.91 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.831 2.354 . . . . 74.41 112.723 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.9 pt? -106.74 11.2 30.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 64.34 110.511 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 -77.02 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.697 -0.561 . . . . 72.31 111.697 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.743 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 1.9 p-10 -125.68 170.57 9.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.923 -0.399 . . . . 71.51 109.923 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.743 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 59.7 Cg_endo -70.82 139.5 58.09 Favored 'Cis proline' 0 C--N 1.351 0.684 0 C-N-CA 123.809 -1.329 . . . . 63.02 113.121 3.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.7 mt -94.54 121.17 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.575 -0.739 . . . . 74.21 109.288 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 51.3 mt-30 -91.97 118.28 30.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.486 . . . . 75.32 110.565 -177.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.406 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.0 pt -120.82 137.11 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.924 -0.58 . . . . 72.13 110.534 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -95.07 110.42 22.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.038 0.447 . . . . 50.15 111.005 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.898 HG12 ' HG2' ' A' ' 56' ' ' ARG . 52.2 t -145.3 134.14 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 73.4 110.172 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.898 ' HG2' HG12 ' A' ' 55' ' ' VAL . 35.5 mmt180 67.18 20.86 10.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 122.942 0.497 . . . . 53.44 110.952 175.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.92 12.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.655 -0.783 . . . . 44.44 111.558 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -89.05 157.16 18.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.986 0.422 . . . . 75.42 110.604 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -113.07 110.48 20.53 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.022 -0.733 . . . . 63.44 109.022 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 31' ' ' MET . 51.0 mt -90.27 149.56 22.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.979 -1.009 . . . . 73.11 111.271 -169.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 m -100.63 106.73 18.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.824 -0.625 . . . . 71.24 109.35 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.56 137.7 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.94 0.4 . . . . 73.21 111.004 -174.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.524 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 17.5 tpt180 -73.46 142.41 46.85 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.809 -0.632 . . . . 61.31 109.416 177.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.658 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 22.4 pttm -58.17 -34.49 70.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.493 -0.322 . . . . 74.42 111.52 -176.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -60.17 -44.0 95.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.98 0.419 . . . . 71.52 111.105 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.41 66.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 73.44 110.644 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 5' ' ' ARG . . . -69.24 -20.75 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 73.32 111.159 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.07 ' HG2' ' HG2' ' A' ' 5' ' ' ARG . 40.2 mt-10 -86.55 -17.04 35.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.518 . . . . 74.45 110.065 174.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG3' ' HB2' ' A' ' 19' ' ' HIS . 1.9 tpt -86.75 -16.01 37.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.857 -0.61 . . . . 73.3 110.309 -177.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.546 HG23 HD23 ' A' ' 18' ' ' LEU . 73.9 mt -100.4 132.06 46.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.841 -0.618 . . . . 74.41 110.055 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 16' ' ' VAL . 2.7 pt-20 -106.1 142.83 35.14 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 119.478 -0.889 . . . . 75.21 110.708 171.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 15' ' ' VAL . 27.0 m -135.51 176.17 9.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.925 -1.034 . . . . 62.54 109.764 -177.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -126.07 144.08 50.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.961 0.41 . . . . 74.55 110.682 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD22 HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -77.87 110.38 12.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.552 -0.907 . . . . 74.21 108.552 177.28 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.47 102.71 4.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.313 0.577 . . . . 72.22 110.677 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -147.25 29.75 0.96 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.775 -0.824 . . . . 62.44 108.775 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -63.72 -32.04 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.183 -0.917 . . . . 65.5 111.445 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -79.05 84.32 5.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.085 0.469 . . . . 62.11 110.836 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -168.77 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.566 -0.743 . . . . 71.03 109.707 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -77.2 127.41 32.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.683 -0.689 . . . . 74.45 110.445 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.257 -0.878 . . . . 70.42 109.758 174.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.923 0.392 . . . . 74.13 110.812 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.629 ' HD2' HG23 ' A' ' 72' ' ' VAL . 70.1 t80 -122.29 110.49 15.75 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.751 -0.833 . . . . 75.12 108.751 175.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.673 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 13.0 m -83.13 151.3 25.78 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.834 -0.621 . . . . 74.11 110.937 -175.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 39' ' ' ILE . 42.1 tp -64.58 -23.57 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 75.11 110.518 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 1.1 ptt180 -64.21 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 74.55 110.571 176.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 m-20 -88.7 -1.09 57.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.834 -0.621 . . . . 52.51 111.04 -176.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.22 118.44 26.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.607 -0.516 . . . . 65.42 109.607 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.538 ' HA ' HG21 ' A' ' 44' ' ' VAL . 1.3 mptm? -94.84 170.87 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.309 0.576 . . . . 75.33 112.02 -173.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.502 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 5.2 p -60.77 124.28 19.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.255 -0.884 . . . . 72.31 111.286 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.91 -9.79 60.15 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.762 -0.732 . . . . 61.41 112.252 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -93.49 157.83 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.082 0.468 . . . . 74.53 110.567 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -126.86 128.58 46.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.724 . . . . 75.11 109.721 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 HD22 ' A' ' 74' ' ' LEU . 24.5 m -128.05 177.86 5.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.417 -0.356 . . . . 73.34 110.733 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -132.38 126.95 34.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.953 -0.567 . . . . 52.43 110.332 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.888 ' HA ' HG12 ' A' ' 72' ' ' VAL . 60.8 t -78.88 125.68 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.981 -0.377 . . . . 71.11 109.981 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 m -114.94 -44.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.144 -0.622 . . . . 70.13 112.462 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.32 137.56 40.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.568 0.699 . . . . 62.22 111.643 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' CD2' HD12 ' A' ' 70' ' ' ILE . 46.8 mt -100.89 119.1 38.2 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.288 -0.869 . . . . 65.21 108.788 176.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' MET . 52.6 m170 -88.36 -2.92 58.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.752 0.31 . . . . 53.11 111.58 -173.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . -84.9 165.9 40.44 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.696 -0.764 . . . . 75.25 112.273 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 22' ' ' GLY . 1.6 m -85.33 -174.86 5.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.612 -0.514 . . . . 61.34 109.612 177.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.738 ' H ' HG22 ' A' ' 21' ' ' THR . . . -50.65 -43.49 46.46 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 114.666 0.627 . . . . 45.33 114.666 -173.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.64 84.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.148 0.474 . . . . 72.02 110.882 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' HG ' ' HE1' ' A' ' 69' ' ' MET . 4.2 mm? -72.64 -46.49 53.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 51.53 109.977 177.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 29' ' ' MET . 99.5 mttt -56.09 -53.71 53.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 72.33 111.084 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -64.8 -33.66 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.51 111.059 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpt180 -61.88 -46.99 86.98 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.141 0.496 . . . . 70.53 110.149 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.6 HG22 ' HB ' ' A' ' 33' ' ' ILE . 63.1 mt -71.41 -37.06 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.555 -0.748 . . . . 65.54 110.881 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 67.9 mtt -65.31 -43.24 91.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 71.5 111.173 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.22 -33.15 70.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.405 0.621 . . . . 61.04 110.279 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.628 ' HE1' HD13 ' A' ' 62' ' ' LEU . 3.0 ttp -67.9 -24.21 65.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.063 -0.972 . . . . 60.45 110.842 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.82 -15.75 16.47 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.089 -0.577 . . . . 51.15 112.072 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.6 ' HB ' HG22 ' A' ' 28' ' ' ILE . 18.2 mt -82.16 115.4 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.027 0.442 . . . . 51.12 110.183 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 p -131.71 -176.23 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.988 -0.551 . . . . 55.42 110.997 -176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -81.13 128.88 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.06 -0.348 . . . . 73.1 110.06 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.03 27.45 37.39 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 121.035 -0.602 . . . . 72.04 112.62 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.83 149.26 28.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.89 0.345 . . . . 75.23 110.516 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.46 120.81 26.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.661 -0.7 . . . . 64.41 109.953 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 4' ' ' LEU . 38.1 mm -112.63 114.48 47.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.032 -0.531 . . . . 74.53 110.773 -175.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 90.6 t80 -104.18 124.55 49.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 74.31 109.959 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 mm -91.1 118.85 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 74.35 110.694 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 37.2 mmt180 -74.55 -56.73 4.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.747 -0.66 . . . . 74.24 110.506 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 73.4 tttt -147.85 137.67 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.629 . . . . 75.23 111.172 -173.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 8' ' ' LYS . 61.4 t -113.39 123.49 69.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.791 -0.818 . . . . 73.34 108.791 170.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -71.8 144.47 88.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.591 -0.277 . . . . 45.54 110.629 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 38.1 Cg_exo -62.45 -22.15 73.68 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.949 2.432 . . . . 73.34 112.287 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tt -80.24 -18.36 49.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.852 -0.613 . . . . 72.4 109.819 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.06 -43.02 1.54 Allowed Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.649 -0.705 . . . . 55.25 111.657 -178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.708 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.3 p-10 -155.66 167.94 13.21 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.443 -0.577 . . . . 74.03 109.443 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.708 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 56.6 Cg_endo -70.43 147.59 86.39 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.888 -1.297 . . . . 54.44 113.618 2.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.35 132.16 39.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.345 -0.843 . . . . 63.23 109.048 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -98.5 121.57 40.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.245 . . . . 74.04 110.517 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 39' ' ' ILE . 2.7 mp -120.79 158.37 23.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.712 -0.477 . . . . 62.41 109.712 179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -118.93 110.14 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.66 -0.496 . . . . 61.41 109.66 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.591 HG12 ' HG2' ' A' ' 56' ' ' ARG . 45.6 t -130.06 129.16 65.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.232 -0.655 . . . . 64.52 109.232 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.591 ' HG2' HG12 ' A' ' 55' ' ' VAL . 5.0 mmt85 63.98 19.73 11.88 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.195 0.521 . . . . 74.51 110.402 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.28 7.24 87.93 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.938 -0.573 . . . . 63.44 112.031 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.14 130.16 54.74 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.142 -0.318 . . . . 71.54 110.142 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.08 135.34 42.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.729 -0.471 . . . . 52.14 109.729 172.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.605 HD13 ' HG2' ' A' ' 31' ' ' MET . 84.6 mt -126.76 135.08 50.6 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.807 -0.633 . . . . 73.23 110.8 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -98.27 106.6 18.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 74.54 109.79 172.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.628 HD13 ' HE1' ' A' ' 31' ' ' MET . 61.6 tp -106.49 141.94 36.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.113 0.482 . . . . 54.0 110.532 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 139.26 38.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.775 -0.648 . . . . 73.01 109.817 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 49' ' ' ASP . 23.5 pttm -60.27 -30.76 69.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.507 -0.315 . . . . 70.33 111.312 -175.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 m -60.05 -39.35 85.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 74.44 110.865 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.556 ' O ' HG12 ' A' ' 70' ' ' ILE . . . -76.11 -33.69 59.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.06 0.457 . . . . 74.21 110.573 177.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.29 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.053 -0.521 . . . . 72.2 111.434 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 11.6 pt-20 -92.48 5.77 49.58 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.087 0.403 . . . . 62.35 112.087 -177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.507 ' HE1' ' HG ' ' A' ' 24' ' ' LEU . 21.4 ptm -114.68 14.7 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.306 0.574 . . . . 73.13 110.347 176.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 66' ' ' ALA . 39.2 mm -116.46 134.94 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 74.22 110.756 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.52 115.39 28.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.965 -0.561 . . . . 65.11 109.593 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.888 HG12 ' HA ' ' A' ' 15' ' ' VAL . 34.1 m -132.08 169.66 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.916 0.389 . . . . 50.54 110.824 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.86 166.0 21.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.251 -0.432 . . . . 73.15 110.094 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.482 HD22 HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -83.83 133.23 34.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.929 0.395 . . . . 74.34 110.98 -177.683 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -94.68 -164.48 1.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.602 -0.888 . . . . 65.23 108.602 174.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -62.35 108.18 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 74.42 110.528 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -87.08 73.25 9.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.605 0.717 . . . . 64.54 111.109 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -110.17 90.46 3.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.936 0.874 . . . . 70.04 110.112 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -119.56 -10.68 9.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.409 -0.814 . . . . 73.15 109.607 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -83.16 -21.05 33.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.579 -0.737 . . . . 65.41 109.193 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 C--O 1.248 0.983 0 CA-C-N 115.051 -0.977 . . . . 62.5 109.034 177.118 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.653 ' HG3' ' HB2' ' A' ' 71' ' ' GLU . 25.7 ttt . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.821 0.343 . . . . 75.2 110.502 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -102.04 110.95 23.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.033 -0.729 . . . . 70.22 109.033 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -76.64 141.16 41.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.545 -0.298 . . . . 75.24 111.057 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 62.6 tp -60.48 -33.01 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 73.53 110.258 176.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' HD3' ' HA2' ' A' ' 48' ' ' GLY . 0.7 OUTLIER -67.07 -28.76 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 74.3 110.483 177.001 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.62 -13.3 58.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 75.32 111.059 -173.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 -174.1 2.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.942 -0.572 . . . . 74.02 110.534 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -133.18 170.02 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.515 0.198 . . . . 73.15 110.575 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.6 p -74.58 147.75 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.479 -0.328 . . . . 61.14 110.855 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.51 0.08 88.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.969 -0.634 . . . . 22.13 112.278 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -100.17 143.45 30.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 71.32 110.519 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 m -104.99 111.71 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 72.32 110.337 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG12 HD13 ' A' ' 74' ' ' LEU . 33.7 m -112.73 160.97 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.083 -0.508 . . . . 64.4 110.87 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 9.3 ttmt -121.2 134.45 55.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 73.34 109.621 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.566 ' HA ' HG12 ' A' ' 72' ' ' VAL . 47.0 t -70.83 121.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 121.126 -0.23 . . . . 53.11 110.491 -178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.31 -32.03 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.137 0.421 . . . . 64.24 112.137 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.758 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -138.34 123.94 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.727 -0.389 . . . . 70.25 111.609 -178.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 70' ' ' ILE . 98.9 mt -103.75 102.87 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.544 . . . . 74.12 109.836 175.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 69' ' ' MET . 26.4 m-70 -78.76 173.14 12.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.876 0.369 . . . . 75.15 110.126 177.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.632 ' O ' ' HE3' ' A' ' 25' ' ' LYS . . . 96.81 176.87 35.25 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.271 -0.731 . . . . 44.13 111.271 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -133.3 118.95 19.14 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.164 0.482 . . . . 61.22 111.062 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.07 -90.74 0.09 OUTLIER Glycine 0 C--O 1.225 -0.442 0 CA-C-N 115.934 -0.575 . . . . 65.11 113.748 174.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.14 57.53 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.097 0.406 . . . . 64.31 112.097 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.55 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 62.52 110.858 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.632 ' HE3' ' O ' ' A' ' 20' ' ' GLY . 99.2 mttt -59.72 -53.2 60.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.685 -0.689 . . . . 44.24 110.933 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -57.69 -40.3 79.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.717 -0.674 . . . . 72.32 110.885 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.7 -51.5 69.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.443 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.681 HG22 ' HB ' ' A' ' 33' ' ' ILE . 59.1 mt -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.725 -0.67 . . . . 61.32 111.585 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.537 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 69.3 mtm -66.31 -34.28 77.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.995 0.369 . . . . 75.22 111.995 -175.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.04 -28.36 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 63.34 110.999 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 67.9 mtm -81.11 -4.14 54.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 72.04 111.054 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.49 -1.24 34.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.067 -0.587 . . . . 63.22 112.112 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.681 ' HB ' HG22 ' A' ' 28' ' ' ILE . 29.7 mt -96.22 102.45 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 74.32 110.986 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.517 ' HA ' HD11 ' A' ' 18' ' ' LEU . 9.0 t -139.11 165.56 26.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.634 -0.506 . . . . 75.24 109.634 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -61.36 124.86 21.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.309 0.576 . . . . 71.53 110.433 -177.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.54 -31.57 5.9 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.415 -0.811 . . . . 54.4 111.548 -175.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.6 m -84.1 151.82 24.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.792 0.329 . . . . 64.24 110.503 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -102.39 160.98 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.228 0.537 . . . . 64.43 110.907 179.05 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 33' ' ' ILE . 76.3 mt -135.14 126.47 46.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.554 -0.748 . . . . 60.51 110.004 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HE2' ' HD3' ' A' ' 42' ' ' ARG . 89.0 t80 -89.36 116.24 27.42 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.027 -0.731 . . . . 71.13 109.027 171.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.6 mt -81.41 123.19 37.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.972 0.415 . . . . 55.54 111.117 -176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' HD3' ' HE2' ' A' ' 40' ' ' TYR . 14.4 mmt85 -90.34 -57.41 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.828 -0.624 . . . . 74.31 111.326 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 52' ' ' GLN . 64.1 mmtt -140.71 114.65 9.05 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.16 0.43 . . . . 73.32 112.16 -174.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.0 t -113.64 124.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.558 -0.904 . . . . 71.55 108.558 169.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.49 144.1 93.91 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 120.974 -0.29 . . . . 74.34 110.282 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 53.2 Cg_exo -56.83 -27.73 73.43 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 122.899 2.399 . . . . 70.25 112.272 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tt -85.12 -44.62 12.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 71.34 109.642 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.493 ' HA2' ' HD3' ' A' ' 5' ' ' ARG . . . 162.9 -86.85 0.11 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.987 -0.625 . . . . 73.51 112.124 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.645 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 6.2 p-10 -84.44 151.24 58.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 120.518 0.199 . . . . 74.15 110.559 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -88.34 166.33 40.62 Favored 'Cis proline' 0 N--CA 1.459 -0.552 0 C-N-CA 123.372 -1.512 . . . . 71.2 112.613 -0.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 49' ' ' ASP . 4.3 mp -117.78 102.38 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 70.33 109.823 178.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 43' ' ' LYS . 93.7 mt-30 -89.13 126.99 35.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.852 -0.613 . . . . 71.4 109.887 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' A' ' 39' ' ' ILE . 22.7 pt -135.74 151.51 29.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.986 -0.552 . . . . 64.33 110.579 -175.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -110.68 110.81 21.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.376 -0.602 . . . . 64.51 109.376 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.63 HG12 ' HG3' ' A' ' 56' ' ' ARG . 38.6 t -114.27 118.6 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 44.34 110.356 -177.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HG3' HG12 ' A' ' 55' ' ' VAL . 36.7 mtp180 69.34 -7.69 0.8 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.662 -0.699 . . . . 74.24 112.124 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.85 -19.43 5.83 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.582 -0.607 . . . . 63.25 111.582 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -90.64 132.68 35.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.11 0.481 . . . . 74.33 110.731 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -90.46 124.0 34.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.767 -0.651 . . . . 73.32 110.231 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -123.5 156.95 34.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.527 -0.76 . . . . 71.34 110.583 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -127.62 110.72 12.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.69 -0.485 . . . . 72.43 109.69 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.8 mt -106.46 159.36 16.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 74.33 110.785 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -89.67 168.98 11.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.068 -0.514 . . . . 71.34 110.4 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.645 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -58.97 -42.2 89.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 61.45 110.785 -176.195 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 m -56.84 -45.78 82.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.815 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -72.36 -44.98 61.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.047 0.451 . . . . 60.0 111.031 -178.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 4' ' ' LEU . . . -63.52 -33.86 76.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.309 0.576 . . . . 75.31 111.384 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.66 -13.39 51.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.879 -0.601 . . . . 72.13 111.386 -174.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 23.4 ptm -97.33 -1.02 45.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.043 0.449 . . . . 72.43 110.37 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 18' ' ' LEU . 37.0 mm -105.92 126.81 61.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.903 0.382 . . . . 72.22 110.474 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.758 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 2.3 tt0 -97.24 125.29 41.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.674 -0.693 . . . . 72.14 109.461 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 15' ' ' VAL . 24.6 m -127.07 160.32 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 62.51 111.414 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -104.54 124.8 49.94 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.003 -0.999 . . . . 74.22 109.792 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.543 HD12 ' H ' ' A' ' 75' ' ' GLU . 14.0 tp -98.54 141.15 31.74 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 109.686 -0.487 . . . . 65.21 109.686 178.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.543 ' H ' HD12 ' A' ' 74' ' ' LEU . 5.1 tm-20 -49.82 116.66 1.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.729 0.643 . . . . 72.45 110.08 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -130.73 117.14 18.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.871 -0.604 . . . . 74.54 111.071 -174.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 50.5 m80 -145.48 164.25 32.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.725 -0.671 . . . . 64.24 109.223 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 42.6 m80 71.06 -5.94 1.41 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.056 0.543 . . . . 65.43 111.054 -176.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -90.26 66.56 6.61 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.255 -0.646 . . . . 64.12 109.255 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -68.85 -30.32 68.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.727 -0.67 . . . . 75.33 110.357 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.311 -0.852 . . . . 64.44 109.134 176.233 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HG3' ' OE1' ' A' ' 71' ' ' GLU . 27.7 ttt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.721 0.296 . . . . 72.41 110.331 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -130.71 100.26 5.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.864 -0.791 . . . . 75.24 108.864 173.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 80.1 p -90.37 172.5 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.97 -0.559 . . . . 15.44 111.179 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.571 HD13 HG11 ' A' ' 72' ' ' VAL . 27.9 tp -64.12 -23.48 67.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 44.1 110.039 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -83.57 -8.44 59.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.874 -0.603 . . . . 71.43 110.672 177.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -90.5 -11.29 40.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.842 0.353 . . . . 71.23 110.254 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.89 172.2 14.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 72.14 110.279 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 2.9 mptp? -125.01 156.23 38.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.613 -0.267 . . . . 74.3 110.294 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.2 p -64.15 129.51 40.26 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 71.01 110.344 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.89 7.79 43.63 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.814 -0.708 . . . . 73.42 112.147 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.37 147.93 39.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 60.44 111.227 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.6 m -109.07 121.02 44.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.841 -0.618 . . . . 63.54 109.892 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.5 m -120.75 172.5 7.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.287 -0.415 . . . . 71.15 110.301 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HG2' ' HA ' ' A' ' 38' ' ' GLU . 45.1 mtmt -131.83 150.68 52.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.851 0.358 . . . . 71.03 110.457 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.689 ' HB ' ' HA ' ' A' ' 35' ' ' ARG . 38.8 t -80.31 131.17 34.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.801 -0.636 . . . . 74.12 110.496 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.4 m -120.11 -41.29 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.981 0.363 . . . . 72.15 111.981 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -140.42 139.18 35.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.766 0.317 . . . . 64.25 110.158 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.09 116.4 29.08 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.903 -0.319 . . . . 34.23 110.831 -178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 69' ' ' MET . 9.2 m-70 -86.67 154.13 21.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.45 -0.574 . . . . 71.22 109.45 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.08 164.04 10.44 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.275 -0.964 . . . . 75.33 112.778 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.28 33.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.876 0.369 . . . . 63.44 111.517 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.27 -64.87 3.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.111 -0.566 . . . . 63.41 112.6 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.61 92.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.62 0.248 . . . . 72.54 111.293 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -61.25 -45.22 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.997 -0.371 . . . . 73.24 109.997 178.208 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -58.66 -47.72 83.48 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.978 -0.556 . . . . 72.24 110.96 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.473 ' HD3' ' O ' ' A' ' 26' ' ' ARG . 1.9 tmt_? -63.13 -36.03 82.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.833 -0.621 . . . . 72.53 110.139 -178.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -64.02 -41.88 97.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 54.54 110.418 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.516 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 76.0 mt -59.67 -48.97 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 55.1 110.323 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.9 mtm -66.25 -30.46 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.498 -0.773 . . . . 64.55 111.047 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.94 -35.62 80.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.056 -0.52 . . . . 61.2 111.284 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 65.5 mtm -74.08 -19.73 60.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 73.43 111.25 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.63 -7.81 11.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.944 -0.646 . . . . 23.24 112.366 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.543 HG23 HD11 ' A' ' 39' ' ' ILE . 4.2 mp -83.02 96.41 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.24 0.543 . . . . 63.34 110.084 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 p -118.31 161.16 20.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.686 -0.688 . . . . 53.24 110.1 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . 16.2 ptt180 -64.52 141.24 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 73.21 110.537 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.66 -10.53 70.68 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.92 -0.657 . . . . 64.11 112.5 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.51 143.8 26.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.846 0.355 . . . . 64.13 110.838 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HA ' ' HG2' ' A' ' 14' ' ' LYS . 1.1 mp0 -84.86 130.9 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.631 -0.713 . . . . 73.5 110.543 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.788 HG12 HG22 ' A' ' 55' ' ' VAL . 49.9 mt -120.53 115.07 45.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.895 -0.593 . . . . 75.21 110.016 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 88.6 t80 -93.87 121.57 35.47 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.849 -0.426 . . . . 73.15 109.849 174.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.2 mm -75.4 102.13 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.784 -0.821 . . . . 73.42 108.784 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.65 ' HD3' ' HG2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -89.61 -54.44 4.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.073 -0.512 . . . . 74.02 111.029 -170.787 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.65 ' HG2' ' HD3' ' A' ' 42' ' ' ARG . 73.5 mmtt -137.61 140.48 40.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 74.44 111.228 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.24 116.26 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.907 -0.775 . . . . 65.02 108.907 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -64.56 143.15 98.58 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 55.13 111.208 -176.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 12.0 Cg_exo -70.61 79.47 1.21 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.035 2.49 . . . . 73.11 111.63 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 tt -179.26 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.194 -1.039 . . . . 75.34 108.194 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.02 -30.31 2.96 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.043 -0.981 . . . . 72.42 111.268 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 3.7 p-10 -148.59 157.44 41.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.436 -0.579 . . . . 70.54 109.436 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 69.1 Cg_endo -86.28 170.29 42.44 Favored 'Cis proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.44 -1.483 . . . . 71.33 112.901 -0.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -96.25 116.63 38.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.847 -0.797 . . . . 74.14 108.847 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB3' ' HB2' ' A' ' 43' ' ' LYS . 35.7 tt0 -89.37 112.82 24.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.286 0.565 . . . . 74.42 109.864 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.598 HD11 HD23 ' A' ' 62' ' ' LEU . 33.1 pt -121.35 161.23 21.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 65.5 111.461 -173.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 9.2 m120 -111.36 110.96 21.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 72.15 110.066 174.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.788 HG22 HG12 ' A' ' 39' ' ' ILE . 28.9 t -125.81 135.72 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.354 -0.61 . . . . 52.53 109.354 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.604 ' HG2' HG12 ' A' ' 55' ' ' VAL . 23.7 mmt85 67.5 -70.95 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.8 0.687 . . . . 60.55 110.316 -177.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.61 21.78 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.644 -0.982 . . . . 53.11 110.644 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -119.72 154.97 33.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.881 0.372 . . . . 61.54 111.443 -174.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -86.4 110.53 19.78 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.524 -0.917 . . . . 75.11 108.524 167.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD12 ' HB ' ' A' ' 55' ' ' VAL . 97.3 mt -113.59 150.19 33.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.778 0.323 . . . . 71.01 110.955 -175.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.6 p -113.98 110.78 20.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 54.12 110.663 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 53' ' ' ILE . 2.5 mm? -107.15 133.54 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.869 -0.605 . . . . 64.3 110.135 177.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 63' ' ' ARG . 0.2 OUTLIER -73.58 150.61 41.32 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.796 -0.361 . . . . 73.31 110.028 178.471 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -60.79 -31.75 71.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.437 -0.347 . . . . 70.23 110.39 -177.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -61.66 -43.07 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 72.14 110.839 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -75.96 -39.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.041 0.448 . . . . 45.15 110.53 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.2 77.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 72.21 111.583 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 11.8 pt-20 -79.85 4.2 17.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.939 0.348 . . . . 72.33 111.939 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 16.2 ptm -125.11 8.48 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 74.33 110.619 175.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 3' ' ' SER . 76.5 mt -98.27 117.56 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.501 -0.555 . . . . 54.44 109.501 173.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' OE1' ' HG3' ' A' ' 1' ' ' MET . 13.2 tp10 -82.84 121.38 26.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.595 -0.521 . . . . 63.43 109.595 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG11 HD13 ' A' ' 4' ' ' LEU . 28.6 m -125.53 166.39 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 73.44 112.076 -176.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -128.85 149.39 50.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.069 -0.969 . . . . 73.3 109.406 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.37 162.74 22.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.614 0.721 . . . . 55.4 112.548 -172.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.08 172.9 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.379 -1.282 . . . . 72.04 111.633 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -140.33 87.9 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.087 -0.506 . . . . 52.52 110.365 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -81.65 150.24 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.918 -0.583 . . . . 73.15 109.646 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -100.47 136.05 40.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.368 -0.378 . . . . 62.12 110.797 -173.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -66.82 154.53 40.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 72.24 111.211 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -83.53 -20.69 33.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.793 -0.639 . . . . 73.12 111.633 -172.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.295 -0.86 . . . . 65.25 110.437 -178.102 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.89 -0.411 . . . . 62.13 109.89 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.849 ' HZ ' HD23 ' A' ' 74' ' ' LEU . 60.0 t80 -117.51 88.07 2.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.315 -0.624 . . . . 72.42 109.315 175.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.408 ' OG ' ' HB3' ' A' ' 5' ' ' ARG . 80.5 p -118.01 -177.33 3.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.727 -0.67 . . . . 63.05 110.759 -176.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 53' ' ' ILE . 21.2 tp -66.18 -18.86 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.514 0.673 . . . . 74.35 109.637 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HB3' ' OG ' ' A' ' 3' ' ' SER . 3.0 tpm_? -70.16 -34.99 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.112 -0.949 . . . . 63.12 110.623 176.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -88.77 -18.2 28.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.922 -0.581 . . . . 64.34 111.6 -174.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.95 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.546 -0.297 . . . . 74.34 111.452 -177.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -119.07 161.4 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 71.33 111.25 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.514 ' HB3' HG23 ' A' ' 44' ' ' VAL . 9.4 p -73.6 146.97 44.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 65.44 110.362 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.8 -14.23 65.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.94 -0.648 . . . . 54.12 111.613 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -94.04 158.95 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.959 0.409 . . . . 72.34 110.354 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.459 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 24.4 m -119.12 119.72 35.01 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.973 -0.558 . . . . 75.1 109.927 177.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.64 HG12 HD22 ' A' ' 74' ' ' LEU . 31.8 m -120.72 171.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.09 -0.505 . . . . 74.31 109.933 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -129.51 135.0 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.284 -0.265 . . . . 53.55 110.284 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.689 HG21 HG23 ' A' ' 33' ' ' ILE . 61.9 t -75.77 117.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 63.23 110.196 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.31 -29.68 2.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 112.911 0.708 . . . . 72.41 112.911 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 77.4 tttt -141.74 139.37 32.83 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.727 0.299 . . . . 73.35 110.346 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt -107.95 113.55 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.381 -0.372 . . . . 63.14 110.556 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -90.17 168.99 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.259 -0.428 . . . . 72.23 110.334 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.88 173.81 17.45 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.739 -0.743 . . . . 64.34 112.068 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -76.15 -79.02 0.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.775 0.321 . . . . 72.12 111.356 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.51 -55.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.89 -0.671 . . . . 70.3 111.594 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.28 -32.93 73.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.627 0.251 . . . . 74.54 110.857 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.1 mm? -63.23 -50.47 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.223 -0.444 . . . . 64.21 110.358 176.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 47.0 mtpt -56.52 -53.34 58.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.818 -0.628 . . . . 72.52 110.758 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.686 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 94.9 mtt180 -65.42 -34.36 78.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.541 . . . . 74.45 112.142 -176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -56.45 -42.95 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.203 0.525 . . . . 74.22 110.202 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.634 HG22 ' HB ' ' A' ' 33' ' ' ILE . 77.1 mt -77.2 -52.3 16.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.399 -0.819 . . . . 74.54 111.439 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.686 ' HG3' ' HA ' ' A' ' 26' ' ' ARG . 4.8 ppp? -64.34 -30.5 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.022 -0.535 . . . . 71.04 111.741 -174.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -61.67 -21.67 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 74.01 111.152 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.52 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 69.5 mtm -89.34 7.01 37.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 70.43 111.191 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 -1.12 37.32 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.477 -0.868 . . . . 52.51 112.45 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.689 HG23 HG21 ' A' ' 15' ' ' VAL . 24.0 mm -86.57 73.83 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.106 0.479 . . . . 72.42 109.791 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 35' ' ' ARG . 35.2 p -101.76 22.79 12.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.446 0.536 . . . . 75.12 112.446 -170.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 34' ' ' THR . 63.7 ttt180 71.46 118.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.734 0.646 . . . . 75.55 110.556 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.28 18.2 37.17 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.946 -0.862 . . . . 43.45 110.946 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 33' ' ' ILE . 5.4 p -109.17 132.5 54.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.214 -0.493 . . . . 71.33 110.035 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.82 139.24 38.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.177 0.513 . . . . 73.12 110.905 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 53' ' ' ILE . 45.5 mm -115.41 114.71 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.287 -0.87 . . . . 63.01 110.422 -177.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.702 ' HB3' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t80 -92.62 100.78 13.23 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.695 -0.854 . . . . 71.43 108.695 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.502 ' HA ' HG22 ' A' ' 53' ' ' ILE . 21.8 mt -71.92 105.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.051 0.453 . . . . 74.22 109.906 -177.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 42' ' ' ARG . 12.3 tpp85 -80.96 -55.19 4.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.69 -0.686 . . . . 62.42 111.832 -172.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.2 138.15 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.741 -0.384 . . . . 63.02 111.558 -168.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.514 HG23 ' HB3' ' A' ' 9' ' ' CYS . 60.6 t -115.83 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.563 -0.532 . . . . 75.31 109.563 175.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . . . -69.78 146.51 95.66 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.384 -0.371 . . . . 64.41 111.283 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' ALA . 36.5 Cg_exo -61.66 -16.38 48.02 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.395 2.73 . . . . 54.43 113.091 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.4 mt -85.83 0.37 53.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.281 0.563 . . . . 74.51 110.14 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.15 -32.11 7.5 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.515 -0.766 . . . . 71.23 111.278 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.801 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 18.9 p-10 -155.68 167.52 14.06 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.898 -0.779 . . . . 63.33 108.898 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.801 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 73.3 Cg_endo -73.71 153.93 99.37 Favored 'Cis proline' 0 C--O 1.235 0.329 0 C-N-CA 123.209 -1.579 . . . . 72.41 112.805 2.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.2 mt -94.23 110.9 24.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.57 -0.9 . . . . 73.44 108.57 174.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -85.89 112.43 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.547 -0.751 . . . . 72.4 109.675 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.548 HD12 HD12 ' A' ' 39' ' ' ILE . 39.2 pt -120.79 150.33 23.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.065 0.459 . . . . 73.33 110.777 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.702 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 13.3 m120 -96.88 110.34 22.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 51.23 110.47 178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.632 HG12 ' HG2' ' A' ' 56' ' ' ARG . 64.7 t -113.94 117.67 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.285 -0.871 . . . . 60.31 109.548 178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.632 ' HG2' HG12 ' A' ' 55' ' ' VAL . 6.3 mmm180 65.09 10.55 6.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.339 -0.846 . . . . 75.51 111.001 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.58 -5.13 40.37 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 64.11 112.343 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.523 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 93.2 m-85 -98.17 156.69 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.61 0.205 . . . . 74.24 110.662 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 54' ' ' ASN . 24.4 mp0 -102.98 115.99 31.67 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.813 -0.44 . . . . 72.1 109.813 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 31' ' ' MET . 2.4 pp -133.21 154.59 50.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.087 -0.338 . . . . 72.54 110.087 177.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.666 ' HB3' ' HB2' ' A' ' 50' ' ' PRO . 14.0 m -107.57 134.73 50.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.165 0.507 . . . . 61.13 112.281 -171.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -112.56 142.02 45.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.793 -0.639 . . . . 73.02 110.31 173.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -78.79 159.71 27.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.655 -0.498 . . . . 64.34 109.655 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HD2' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -57.57 -38.39 74.75 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 111.609 0.225 . . . . 60.11 111.609 -175.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 48.7 m -73.43 -35.6 65.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 42.3 111.017 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.88 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 33.55 110.787 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.04 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.366 0.603 . . . . 73.22 110.948 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -74.81 -17.32 60.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.146 -0.934 . . . . 65.4 110.904 -175.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.5 mmt -81.48 -10.2 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.255 0.55 . . . . 64.23 110.072 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.6 mt -98.18 106.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.782 -0.644 . . . . 74.3 111.048 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 14.2 tp10 -77.3 117.73 19.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 65.01 109.15 176.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 13' ' ' VAL . 35.1 m -123.64 179.47 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.171 0.51 . . . . 72.22 111.85 -175.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -153.08 144.88 23.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.15 -0.932 . . . . 71.23 109.054 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.849 HD23 ' HZ ' ' A' ' 2' ' ' PHE . 1.2 mm? -80.36 140.54 36.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 60.0 110.884 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -85.24 -10.14 56.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.944 0.402 . . . . 73.23 110.185 175.205 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -94.96 91.51 6.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 72.13 110.219 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -125.85 152.37 45.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.344 -0.389 . . . . 74.14 110.601 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -127.93 119.54 25.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.443 -0.344 . . . . 74.22 111.522 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 70.53 -2.06 2.33 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.252 -0.886 . . . . 74.35 111.997 173.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -150.51 105.82 3.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.997 -0.742 . . . . 70.15 108.997 175.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.336 -0.84 . . . . 74.44 109.882 -176.244 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 121.06 0.457 . . . . 75.2 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -111.79 111.3 22.16 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.74 -0.837 . . . . 74.55 108.74 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.684 ' HB3' ' HA ' ' A' ' 68' ' ' GLU . 6.1 m -96.2 159.3 15.03 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.791 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.997 HD23 HG11 ' A' ' 72' ' ' VAL . 2.3 tm? -61.11 -39.46 90.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.771 -0.826 . . . . 71.15 108.771 174.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' HD3' ' HB3' ' A' ' 68' ' ' GLU . 37.9 ttp180 -44.8 -26.74 0.43 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.3 -1.318 . . . . 55.24 112.25 171.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -100.09 -0.55 38.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.475 -0.33 . . . . 73.13 111.762 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.38 150.93 39.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.937 0.399 . . . . 74.24 110.709 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -99.5 165.18 11.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 64.05 111.321 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.5 p -78.62 26.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.674 -0.694 . . . . 72.23 112.539 -173.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.34 19.55 0.93 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.934 -0.651 . . . . 44.53 111.672 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -115.45 143.06 45.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.702 0.287 . . . . 74.11 110.912 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -89.27 118.49 28.99 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.449 -0.574 . . . . 53.54 109.449 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.7 HG21 HD21 ' A' ' 4' ' ' LEU . 27.5 m -114.18 150.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.09 0.472 . . . . 54.11 110.631 -177.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 30.4 ttpt -128.89 119.33 24.22 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.898 -0.592 . . . . 73.02 109.63 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.4 t -73.53 128.76 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 62.11 109.734 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 71' ' ' GLU . 11.0 m -114.62 -40.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.39 -0.524 . . . . 74.23 112.14 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.669 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . 17.5 ttpt -140.55 151.78 45.01 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.021 -0.272 . . . . 74.31 110.52 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 70' ' ' ILE . 94.4 mt -123.61 114.8 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 110.117 -0.327 . . . . 63.35 110.117 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -89.04 167.95 12.74 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.485 -0.561 . . . . 71.44 109.485 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.54 -177.82 18.92 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.465 -0.874 . . . . 53.44 112.668 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -89.07 31.04 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.467 0.651 . . . . 73.24 110.935 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' HA2' ' HD2' ' A' ' 25' ' ' LYS . . . 79.58 -59.67 4.39 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.804 -0.634 . . . . 74.4 113.519 175.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.4 -38.32 74.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 62.01 111.138 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 28' ' ' ILE . 2.0 tm? -75.6 -46.19 33.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.088 -0.506 . . . . 73.12 110.455 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HD2' ' HA2' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -67.05 -30.4 70.45 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 74.02 111.586 -176.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -72.8 -38.29 67.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.362 . . . . 75.22 110.089 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -57.27 -36.73 71.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.867 -0.606 . . . . 71.01 110.328 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.633 HG22 ' HB ' ' A' ' 33' ' ' ILE . 64.2 mt -63.95 -49.13 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.694 -0.685 . . . . 64.13 110.629 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.749 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 70.9 mtm -67.9 -33.64 75.1 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 55.43 111.283 -178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.66 -23.94 66.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 73.43 111.017 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.561 ' HE2' ' HA ' ' A' ' 28' ' ' ILE . 68.7 mtm -87.52 -23.25 24.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 74.34 111.36 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.4 -29.56 2.59 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.962 -0.637 . . . . 61.03 112.188 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.885 ' HA ' HG21 ' A' ' 55' ' ' VAL . 4.5 mp -74.2 96.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.119 0.485 . . . . 52.12 110.133 -177.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.749 ' HA ' ' HG2' ' A' ' 29' ' ' MET . 13.7 p -112.08 174.32 5.94 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.937 -0.574 . . . . 60.13 111.266 -175.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -78.88 121.09 24.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.887 0.375 . . . . 72.15 110.023 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.43 7.95 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.072 -0.585 . . . . 61.31 112.005 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HA ' ' NH1' ' A' ' 56' ' ' ARG . 23.2 p -115.44 154.12 29.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.258 -0.275 . . . . 72.43 110.258 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -96.78 132.26 42.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.584 . . . . 53.22 109.728 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.632 HD11 HG23 ' A' ' 33' ' ' ILE . 63.3 mt -133.32 133.84 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.235 0.54 . . . . 73.13 110.508 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -102.27 122.13 43.61 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.93 -0.577 . . . . 70.3 109.576 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.417 HD11 HD21 ' A' ' 4' ' ' LEU . 43.4 mm -79.99 117.83 26.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.582 -0.525 . . . . 64.34 109.582 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -90.39 -47.79 7.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.439 -175.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -156.27 146.37 21.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 75.14 111.181 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.16 125.43 74.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.165 -0.68 . . . . 62.41 109.165 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.4 145.65 95.78 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.555 -0.293 . . . . 44.44 111.098 -177.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.54 -28.86 88.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.026 2.484 . . . . 53.24 113.076 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.809 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.7 pt? -91.87 -1.16 57.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.132 0.491 . . . . 72.42 110.691 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.31 -71.74 0.32 Allowed Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 121.048 -0.596 . . . . 71.22 111.798 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.721 ' HB2' ' HA ' ' A' ' 50' ' ' PRO . 4.0 p-10 -117.73 163.63 23.29 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.172 -0.307 . . . . 72.53 110.172 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.721 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 1.5 Cg_endo -83.98 145.69 49.56 Favored 'Cis proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.881 -1.3 . . . . 61.21 112.917 0.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -93.96 125.29 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.265 -0.643 . . . . 72.13 109.265 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -81.27 111.23 17.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.808 -0.442 . . . . 63.04 109.808 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.11 152.0 29.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.295 -0.411 . . . . 72.51 111.14 -176.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 43.4 t-20 -122.43 110.25 15.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.39 -0.596 . . . . 71.32 109.39 174.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.885 HG21 ' HA ' ' A' ' 33' ' ' ILE . 8.8 p -108.08 127.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.733 -0.667 . . . . 72.23 110.725 -175.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' HG2' HG22 ' A' ' 55' ' ' VAL . 28.1 mmt180 62.36 -84.86 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.288 -0.634 . . . . 72.43 109.288 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.94 34.56 1.02 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.457 -1.057 . . . . 75.35 110.457 172.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.418 ' HE2' HD21 ' A' ' 60' ' ' LEU . 2.9 t80 -131.52 129.22 40.78 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.831 -0.433 . . . . 73.51 109.831 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -105.71 119.27 38.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.396 0.617 . . . . 73.14 111.331 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.418 HD21 ' HE2' ' A' ' 58' ' ' TYR . 63.4 mt -132.25 171.42 13.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.356 -0.838 . . . . 73.11 110.859 -175.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.8 m -98.64 126.73 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 70.45 109.788 171.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.4 tp -104.72 148.0 27.06 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.636 -0.505 . . . . 72.21 109.636 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -83.96 158.46 21.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.22 0.533 . . . . 71.24 111.168 -176.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 49' ' ' ASP . 85.8 tttt -62.7 -48.76 77.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.927 -1.033 . . . . 63.43 110.747 -178.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 69' ' ' MET . 12.0 p -65.6 -42.3 91.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.439 -0.8 . . . . 62.44 110.693 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' ' 70' ' ' ILE . . . -62.89 -41.75 99.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 43.43 110.58 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.4 68.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 73.34 111.958 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.684 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 14.1 pt-20 -98.06 -2.15 40.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.443 -0.503 . . . . 75.3 111.309 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 65' ' ' SER . 66.2 mtt -97.18 -9.55 27.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 52.41 110.155 174.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 66' ' ' ALA . 71.4 mt -91.23 121.84 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.138 -0.483 . . . . 65.4 111.075 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.669 ' HB3' ' HB3' ' A' ' 17' ' ' LYS . 3.7 tt0 -80.37 112.57 17.83 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.712 -0.847 . . . . 55.43 108.712 172.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.997 HG11 HD23 ' A' ' 4' ' ' LEU . 19.5 m -120.82 162.04 19.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.392 0.615 . . . . 73.42 112.062 -177.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.32 130.0 56.55 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.868 -1.06 . . . . 73.2 109.034 173.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -80.9 110.1 16.1 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.141 -1.059 . . . . 63.3 108.141 176.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -72.13 108.62 5.41 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.377 0.608 . . . . 73.14 109.755 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -75.06 158.81 32.56 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.207 -0.906 . . . . 73.04 110.699 -174.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -100.7 101.27 12.1 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.969 -1.122 . . . . 74.04 107.969 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -106.8 162.65 13.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.945 -0.571 . . . . 61.13 111.992 -168.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.73 127.83 34.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.513 -0.767 . . . . 64.25 109.719 174.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -70.63 162.62 28.62 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.438 0.461 . . . . 72.14 110.592 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.069 -0.715 . . . . 72.04 109.069 172.389 . . . . . . . . 0 0 . 1 stop_ save_