data_1zr9_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 1zr9 _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 ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 C--O 1.241 0.633 0 N-CA-C 111.04 -0.408 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 76.37 21.54 75.15 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.18 7.93 60.89 Favored Glycine 0 CA--C 1.493 -1.307 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.926 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.05 10.93 78.7 Favored Glycine 0 N--CA 1.437 -1.27 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -95.02 -10.87 29.6 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 123.211 0.604 . . . . 0.0 112.46 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.64 99.46 6.18 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -129.25 148.14 51.15 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.354 0.597 . . . . 0.0 110.893 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.59 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 19.2 t -97.27 115.81 28.32 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 163.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.8 -36.8 84.54 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 120.915 0.388 . . . . 0.0 111.233 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -17.86 65.0 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.741 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.19 -12.76 12.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.43 24.02 9.71 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.632 0.73 . . . . 0.0 110.557 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -105.42 143.52 33.47 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.907 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.61 128.3 53.54 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.498 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.441 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 76.1 m-85 -111.86 146.0 38.48 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 pt -61.89 -29.98 47.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -149.06 156.01 41.59 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -61.65 -32.77 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.561 0.538 . . . . 0.0 110.637 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.5 m -64.05 -40.14 95.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -68.2 -37.15 80.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.253 0.549 . . . . 0.0 111.227 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -67.55 -50.46 58.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.263 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.19 -34.27 77.71 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.5 m -64.32 -30.26 71.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.881 0.848 . . . . 0.0 109.703 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 33.7 t60 -63.69 -28.78 70.13 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.554 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.59 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 22.4 m-85 -85.65 6.71 26.27 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 118.478 -1.289 . . . . 0.0 110.62 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -75.06 3.41 8.53 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.841 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 m -85.08 104.75 15.27 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -59.48 -30.88 68.85 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.534 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 16.5 t70 -71.33 -30.48 66.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.742 0.782 . . . . 0.0 110.722 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -64.55 -52.72 56.21 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt . . . . . 0 C--N 1.29 -2.009 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.331 -175.603 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--O 1.241 0.664 0 CA-C-O 121.038 0.349 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.93 20.86 72.99 Favored Glycine 0 CA--C 1.505 -0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.94 7.85 60.0 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 -177.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.54 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 76.95 3.52 80.99 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.885 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.4 -9.2 58.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.238 0.615 . . . . 0.0 111.656 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -127.36 99.3 5.58 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.8 ptt180 -145.81 151.35 37.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.771 0.796 . . . . 0.0 112.956 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.507 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 23.5 t -97.05 117.74 31.9 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 113.98 -1.464 . . . . 0.0 107.114 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.0 -36.88 85.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.991 0.424 . . . . 0.0 111.114 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.05 67.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.192 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.86 -14.59 14.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 64.1 12.46 7.02 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.401 1.08 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -106.14 154.52 20.56 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 85.8 m-85 -105.14 145.85 30.0 Favored 'General case' 0 N--CA 1.406 -2.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD1' HD22 ' A' ' 58' ' ' LEU . 76.9 m-85 -120.08 153.5 36.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 pt -63.44 -39.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.09 177.77 8.71 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.195 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -70.57 -31.78 68.93 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -64.17 -47.11 81.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.253 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -63.22 -40.21 96.81 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.484 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.579 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -63.13 -50.49 70.24 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.809 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.03 -34.79 78.32 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -61.36 -30.3 70.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.994 0.902 . . . . 0.0 109.488 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 34.5 t60 -65.47 -28.89 69.54 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.565 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.507 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 22.8 m-85 -91.06 14.03 15.16 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.243 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.562 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 3.6 mmp_? -75.9 2.57 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -91.35 108.98 20.25 Favored 'General case' 0 N--CA 1.42 -1.927 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -58.58 -35.59 72.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.542 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.95 -30.07 71.04 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.123 0.969 . . . . 0.0 112.052 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.76 -56.09 6.41 Favored 'General case' 0 CA--C 1.478 -1.822 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.79 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.462 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.1 mtpt . . . . . 0 C--N 1.287 -2.134 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.789 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 C--O 1.252 1.199 0 CA-C-O 121.127 0.386 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 69.58 30.63 70.83 Favored Glycine 0 CA--C 1.502 -0.771 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.245 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.87 7.33 58.82 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.631 -0.285 . . . . 0.0 113.027 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.67 9.43 86.28 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.098 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.38 -12.82 22.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -126.72 100.78 6.34 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.083 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.09 147.22 38.19 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.39 0.614 . . . . 0.0 112.345 178.036 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.442 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.9 t -97.04 116.19 28.8 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 169.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.78 -32.64 74.06 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.362 0.601 . . . . 0.0 110.931 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.65 -18.32 65.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.63 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 74.1 m -117.95 -11.24 10.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.12 7.2 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.95 0.9 . . . . 0.0 111.097 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.2 mmt180 -105.79 143.81 33.41 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.418 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 44.2 m-85 -105.24 142.98 34.05 Favored 'General case' 0 N--CA 1.406 -2.663 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.175 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.459 ' CE1' HD22 ' A' ' 58' ' ' LEU . 70.4 m-85 -121.36 149.65 42.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.123 -176.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -62.34 -29.75 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.493 ' HB3' HD21 ' A' ' 57' ' ' ASN . 26.6 t70 -148.65 157.61 43.57 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -62.4 -32.15 72.93 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 123.355 0.409 . . . . 0.0 110.686 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.7 m -66.07 -36.71 83.93 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.782 0.325 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.493 HD21 ' HB3' ' A' ' 54' ' ' ASP . 36.7 m-80 -69.77 -39.15 76.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 121.237 0.541 . . . . 0.0 110.419 177.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.1 tm? -64.57 -49.24 71.97 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.089 176.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.75 -37.45 79.04 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.916 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' ' 63' ' ' ARG . 90.8 m -63.51 -29.78 71.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.227 1.013 . . . . 0.0 110.342 176.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.604 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 25.1 t60 -62.99 -28.64 70.24 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.906 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.445 ' O ' ' HD3' ' A' ' 68' ' ' LYS . 21.7 m-85 -89.09 15.9 8.0 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.826 -178.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 60' ' ' THR . 6.5 mpt_? -67.79 -11.03 57.64 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.551 171.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 p -72.94 107.1 5.13 Favored 'General case' 0 N--CA 1.422 -1.845 0 C-N-CA 124.096 0.958 . . . . 0.0 109.642 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.6 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -33.05 73.09 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.6 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.6 t70 -72.7 -31.36 64.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-O 121.43 0.633 . . . . 0.0 109.711 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.11 -51.3 64.61 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.695 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 62' ' ' PHE . 48.3 mtmt . . . . . 0 C--N 1.281 -2.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.662 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.814 -0.495 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.44 30.66 76.95 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.61 6.45 55.09 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 111.749 -0.541 . . . . 0.0 111.749 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.48 12.78 77.39 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.35 -23.81 19.12 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-O 121.017 0.437 . . . . 0.0 110.949 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.584 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 79.9 m-70 -110.14 96.54 6.29 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -142.85 161.12 38.95 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 121.609 0.719 . . . . 0.0 112.213 -178.694 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.612 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 31.8 t -95.23 116.53 28.88 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.94 -38.64 82.99 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 123.521 0.513 . . . . 0.0 111.224 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.48 -27.35 66.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.929 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.6 m -101.69 -15.34 17.03 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 63.22 11.42 5.33 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.482 1.113 . . . . 0.0 112.122 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 79.4 mtp180 -105.35 149.09 26.38 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.146 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -104.69 145.82 29.8 Favored 'General case' 0 N--CA 1.405 -2.682 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.962 -173.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.454 ' CD1' HD22 ' A' ' 58' ' ' LEU . 76.2 m-85 -124.77 146.13 49.37 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -58.38 -27.99 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB3' HD21 ' A' ' 57' ' ' ASN . 23.9 t70 -149.94 153.84 37.28 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.584 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 40.7 t -58.32 -33.95 70.07 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.158 0.583 . . . . 0.0 111.233 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -37.2 85.88 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.947 0.403 . . . . 0.0 110.094 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.483 HD21 ' HB3' ' A' ' 54' ' ' ASP . 31.0 m-80 -66.84 -41.61 87.14 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -62.11 -50.34 72.3 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.666 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 55' ' ' SER . 68.0 mttm -57.21 -39.67 75.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.594 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.9 m -63.24 -30.34 71.5 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.693 0.758 . . . . 0.0 110.489 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 29.0 t60 -62.61 -28.59 70.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.602 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.612 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 24.0 m-85 -91.1 13.44 16.9 Favored 'General case' 0 C--O 1.206 -1.207 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.032 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -67.89 -11.53 58.88 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.62 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -78.87 103.46 8.83 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.344 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -33.87 76.69 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.36 -31.69 72.37 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.053 0.93 . . . . 0.0 109.894 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -71.95 -49.71 35.17 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.466 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 29.1 mtpp . . . . . 0 C--N 1.283 -2.294 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.945 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo . . . . . 0 C--O 1.241 0.636 0 CA-C-O 120.793 0.247 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.401 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 71.04 21.11 78.31 Favored Glycine 0 CA--C 1.497 -1.062 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.917 178.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.79 18.28 72.17 Favored Glycine 0 N--CA 1.437 -1.272 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.47 -2.28 31.0 Favored Glycine 0 N--CA 1.442 -0.916 0 O-C-N 123.938 0.434 . . . . 0.0 112.595 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.04 0.71 34.62 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 76.8 m-70 -135.13 102.67 5.27 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -142.85 152.19 41.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.222 0.534 . . . . 0.0 112.228 178.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.507 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.7 t -96.03 119.3 34.27 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.72 -30.97 70.59 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.257 0.551 . . . . 0.0 111.09 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -16.49 63.84 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.391 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.0 m -117.24 -26.41 6.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 68.71 14.06 8.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.213 1.005 . . . . 0.0 112.099 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -105.45 153.74 21.29 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -105.28 152.65 22.64 Favored 'General case' 0 N--CA 1.414 -2.261 0 C-N-CA 123.696 0.799 . . . . 0.0 110.278 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.448 ' CE1' HD23 ' A' ' 58' ' ' LEU . 64.1 m-85 -127.49 145.92 50.68 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.207 -178.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.401 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 28.5 pt -63.27 -29.54 47.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.539 ' HB3' HD21 ' A' ' 57' ' ' ASN . 13.9 t70 -146.95 154.2 40.98 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.459 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.9 t -61.08 -31.6 71.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.531 0.519 . . . . 0.0 111.012 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.5 m -61.36 -43.17 99.32 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.539 HD21 ' HB3' ' A' ' 54' ' ' ASP . 37.4 m-80 -61.79 -46.24 90.41 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.364 0.665 . . . . 0.0 110.38 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -60.06 -49.19 78.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.67 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -63.04 -38.91 93.07 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.556 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -65.03 -31.0 72.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.833 0.825 . . . . 0.0 109.618 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.625 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 37.5 t60 -56.74 -28.41 61.06 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.221 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.507 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 16.9 m-85 -92.59 7.34 43.75 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.104 -1.039 . . . . 0.0 111.091 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 5.4 mmp_? -64.23 -24.88 67.83 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.006 0.431 . . . . 0.0 110.865 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.9 m -73.58 101.99 3.75 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -63.63 -25.61 68.3 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.148 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.48 -35.42 63.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.8 0.84 . . . . 0.0 111.007 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.42 -56.83 8.05 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.034 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 52.2 mtmt . . . . . 0 C--N 1.281 -2.397 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.569 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo . . . . . 0 C--O 1.241 0.63 0 N-CA-C 110.92 -0.454 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.68 27.83 73.03 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.07 7.56 59.86 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.04 83.38 Favored Glycine 0 N--CA 1.438 -1.198 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -85.77 -24.28 26.92 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.799 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -109.5 96.48 6.31 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -139.63 150.12 44.58 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-O 121.965 0.888 . . . . 0.0 111.998 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.623 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 12.2 t -96.63 116.89 29.86 Favored 'General case' 0 C--N 1.272 -2.785 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 170.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.58 -36.58 84.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.28 65.23 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.963 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 95.2 m -112.72 -16.01 12.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.79 18.53 7.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.422 0.689 . . . . 0.0 110.713 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 94.9 mtt180 -105.93 141.97 36.43 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.083 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 90.7 m-85 -105.51 138.39 41.79 Favored 'General case' 0 N--CA 1.398 -3.046 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -122.51 154.54 37.72 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -70.15 -21.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 57' ' ' ASN . 30.2 t70 -148.68 153.25 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.838 -177.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.0 t -66.61 -26.1 66.93 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.695 0.798 . . . . 0.0 111.573 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -30.14 66.62 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 89.9 m-20 -66.8 -43.52 83.65 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.769 175.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.443 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 4.0 mm? -58.78 -51.28 70.65 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.251 0.548 . . . . 0.0 111.008 172.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 58.8 tttm -53.19 -43.69 67.35 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.668 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 45.6 m -71.91 -31.84 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.006 0.907 . . . . 0.0 109.953 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -65.15 -35.33 80.76 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.526 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.623 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 30.6 m-85 -91.79 4.51 52.68 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.822 -1.151 . . . . 0.0 111.106 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 4.1 mmp_? -67.99 -32.94 73.69 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.073 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 m -65.6 109.55 2.42 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.634 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -31.22 67.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.386 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.79 -33.77 64.69 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.776 1.231 . . . . 0.0 111.582 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -68.26 -56.59 8.09 Favored 'General case' 0 CA--C 1.465 -2.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.501 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt . . . . . 0 N--CA 1.402 -2.849 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.646 -174.559 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo . . . . . 0 N--CA 1.479 0.649 0 N-CA-C 117.419 2.046 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.61 52.96 4.8 Favored Glycine 0 CA--C 1.485 -1.827 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.436 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.07 22.02 54.39 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.48 48.71 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.395 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.06 -4.14 14.55 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -128.87 102.4 6.52 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.614 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.515 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.91 147.9 37.82 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.204 179.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.68 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 18.2 t -96.73 116.01 28.41 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.57 -34.32 75.61 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.451 0.643 . . . . 0.0 110.571 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.26 66.86 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.661 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.1 m -109.88 -4.85 15.74 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 54.7 26.3 7.39 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.198 0.999 . . . . 0.0 111.787 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -129.35 152.82 48.49 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.321 0.581 . . . . 0.0 111.195 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 29.6 m-85 -108.2 143.19 37.35 Favored 'General case' 0 N--CA 1.408 -2.532 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.436 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 9.2 m-85 -122.12 162.23 21.64 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.6 pt -66.65 -31.24 52.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' OD2' ' HB ' ' A' ' 56' ' ' THR . 4.8 p-10 -150.44 169.82 20.55 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.551 -178.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.4 t -75.67 -25.37 56.71 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 122.985 0.514 . . . . 0.0 111.206 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.417 ' HB ' ' OD2' ' A' ' 54' ' ' ASP . 60.7 m -68.1 -35.63 78.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.12 -41.27 98.07 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.604 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' ' 52' ' ' PHE . 4.2 mm? -62.1 -53.77 50.73 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.712 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -54.25 -43.47 70.95 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.139 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -68.87 -36.37 78.02 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.55 0.69 . . . . 0.0 110.194 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -62.08 -34.62 76.64 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.937 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.68 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 36.2 m-85 -85.76 -2.74 58.52 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.141 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -66.31 -18.22 65.22 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.731 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.9 m -64.62 105.58 1.0 Allowed 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -62.16 -30.08 70.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.144 -0.935 . . . . 0.0 113.235 -176.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.536 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.9 t70 -71.36 -30.81 66.6 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-O 121.359 0.6 . . . . 0.0 109.739 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -66.3 -56.2 12.35 Favored 'General case' 0 CA--C 1.469 -2.145 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.647 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt . . . . . 0 N--CA 1.422 -1.852 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.017 -176.871 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--O 1.247 0.943 0 CA-C-O 121.044 0.352 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.35 23.45 77.93 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.549 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.31 6.95 76.91 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.6 3.51 86.84 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.729 -0.549 . . . . 0.0 111.729 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.91 -2.06 58.37 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.298 0.639 . . . . 0.0 112.037 -175.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 79.3 m-70 -134.26 103.8 5.9 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -147.12 148.37 31.52 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.94 0.876 . . . . 0.0 112.908 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.662 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 22.0 t -95.91 116.14 28.48 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 172.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.8 -34.75 78.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 123.386 0.429 . . . . 0.0 110.989 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.34 -17.79 64.97 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.137 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 75.6 m -115.87 -10.6 11.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 58.58 24.82 12.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.607 0.763 . . . . 0.0 111.525 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.6 mmt180 -118.49 151.32 38.05 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.815 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -105.43 154.02 20.9 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 123.676 0.79 . . . . 0.0 109.247 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.47 ' CD1' HD22 ' A' ' 58' ' ' LEU . 71.4 m-85 -129.23 146.96 51.03 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.86 -22.57 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -174.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.56 151.51 37.44 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.5 t -59.9 -34.75 73.61 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 123.211 0.604 . . . . 0.0 110.776 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.6 m -63.66 -37.61 88.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.738 0.304 . . . . 0.0 110.194 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -65.55 -42.09 92.29 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 121.323 0.582 . . . . 0.0 110.494 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -64.96 -50.7 65.36 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.746 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -59.37 -43.61 92.83 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.446 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.0 m -61.83 -32.77 73.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.496 0.665 . . . . 0.0 110.38 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 49.8 t60 -59.82 -28.8 67.78 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.991 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.662 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 18.9 m-85 -91.81 -25.98 18.75 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.131 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -65.58 -12.51 53.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.088 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.9 m -73.34 99.69 2.99 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 167.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -54.32 -27.12 33.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.66 -38.12 69.18 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.733 0.646 . . . . 0.0 110.979 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -67.24 -56.74 8.57 Favored 'General case' 0 CA--C 1.446 -3.048 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.716 -176.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HD3' ' HB3' ' A' ' 62' ' ' PHE 0.269 53.9 mtmt . . . . . 0 N--CA 1.4 -2.953 0 O-C-N 124.038 0.836 . . . . 0.0 111.464 -174.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo . . . . . 0 C--O 1.239 0.553 0 N-CA-C 110.32 -0.685 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.58 29.08 73.58 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.91 8.26 47.63 Favored Glycine 0 CA--C 1.5 -0.88 0 CA-C-N 115.332 -0.434 . . . . 0.0 112.462 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.72 16.48 65.85 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.61 -28.33 21.97 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 121.571 0.701 . . . . 0.0 109.665 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 86.4 m-70 -98.38 92.8 5.85 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -142.9 144.79 32.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-O 122.325 1.06 . . . . 0.0 113.858 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.678 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 17.5 t -96.98 117.82 32.01 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 113.601 -1.636 . . . . 0.0 107.222 172.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.97 -35.34 80.86 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.389 0.614 . . . . 0.0 110.376 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.77 64.96 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.194 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 73.1 m -116.29 -14.78 11.05 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.29 17.17 8.01 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.987 0.915 . . . . 0.0 111.903 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 59.2 mtt180 -105.72 152.36 23.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.743 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.91 137.5 42.58 Favored 'General case' 0 N--CA 1.409 -2.519 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' CD1' HD21 ' A' ' 58' ' ' LEU . 64.1 m-85 -112.65 146.65 38.27 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.731 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.3 pt -69.9 -33.14 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.881 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.505 ' HB3' HD21 ' A' ' 57' ' ' ASN . 17.0 t70 -139.07 147.93 42.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.262 -178.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.484 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t -59.33 -33.98 71.8 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 124.089 0.956 . . . . 0.0 111.316 -178.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 m -65.1 -37.41 87.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 ' HB3' ' A' ' 54' ' ' ASP . 30.6 m-80 -65.82 -43.74 87.67 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.599 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -63.98 -48.25 77.16 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.847 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' HE3' ' OG ' ' A' ' 55' ' ' SER . 98.9 mttt -60.52 -42.23 96.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.695 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 99.1 m -60.13 -32.25 70.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 122.011 0.91 . . . . 0.0 109.746 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 73.8 t60 -62.47 -27.91 69.45 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.635 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.678 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -103.47 -7.78 20.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.347 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 60' ' ' THR . 39.5 ptt180 -67.85 -16.35 64.05 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.422 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 m -78.02 106.59 9.99 Favored 'General case' 0 N--CA 1.418 -2.069 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -58.64 -28.74 65.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.354 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.65 -36.2 64.32 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.998 0.919 . . . . 0.0 111.541 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -66.45 -56.57 10.31 Favored 'General case' 0 CA--C 1.476 -1.887 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.474 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt . . . . . 0 C--N 1.274 -2.711 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -174.703 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.246 0.882 0 CA-C-O 121.004 0.335 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.39 27.29 73.73 Favored Glycine 0 C--O 1.245 0.836 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.94 6.82 68.79 Favored Glycine 0 C--O 1.244 0.719 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.38 6.01 79.13 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.33 -35.45 15.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 120.828 0.347 . . . . 0.0 111.848 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 81.3 m-70 -94.36 94.32 8.21 Favored 'General case' 0 CA--C 1.478 -1.811 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -140.7 156.37 46.23 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.968 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.507 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 32.7 t -95.34 117.36 30.17 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.37 -44.39 97.25 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 123.822 0.701 . . . . 0.0 111.181 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -24.96 67.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.276 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.5 m -99.69 -16.72 18.07 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 120.488 -0.485 . . . . 0.0 112.176 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.46 21.87 10.34 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.098 0.959 . . . . 0.0 111.341 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -105.02 146.31 29.24 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -104.7 141.1 37.06 Favored 'General case' 0 N--CA 1.417 -2.106 0 O-C-N 123.894 0.746 . . . . 0.0 109.727 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.506 ' CE1' HD22 ' A' ' 58' ' ' LEU . 72.4 m-85 -121.23 146.77 46.46 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.2 pt -65.58 -23.19 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 O-C-N 123.754 0.659 . . . . 0.0 112.578 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.51 166.31 32.38 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 120.718 0.294 . . . . 0.0 110.671 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.515 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 36.4 t -72.76 -25.54 61.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.807 -177.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 m -70.61 -43.88 68.39 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.17 -45.8 86.84 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.231 0.539 . . . . 0.0 110.442 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.978 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.058 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.2 m -66.44 -31.23 71.86 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.706 0.765 . . . . 0.0 109.781 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 40.1 t60 -60.18 -28.43 67.94 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.951 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.645 ' O ' ' HD2' ' A' ' 68' ' ' LYS . 19.9 m-85 -91.92 12.98 19.86 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.563 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.85 -18.49 64.16 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.947 174.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -79.02 99.54 6.93 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -65.07 -25.31 67.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.274 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.96 -39.63 74.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.968 0.889 . . . . 0.0 109.444 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -66.59 -45.36 79.47 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.041 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.645 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 27.9 mtpp . . . . . 0 C--N 1.27 -2.882 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.619 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 C--O 1.246 0.894 0 N-CA-C 110.635 -0.564 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.36 78.45 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 7.6 60.91 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.377 -0.411 . . . . 0.0 112.158 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.53 7.35 73.42 Favored Glycine 0 N--CA 1.439 -1.162 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.36 -24.66 29.62 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.197 0.523 . . . . 0.0 111.166 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 66.8 m-70 -108.32 93.06 4.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -174.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -128.9 145.71 51.14 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.588 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.66 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 5.4 t -97.2 118.05 32.77 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 167.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.46 -36.82 81.49 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.1 -18.12 63.94 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.197 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.5 m -109.88 -23.72 11.22 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.26 20.97 12.16 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.247 1.019 . . . . 0.0 110.987 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -115.13 168.73 9.68 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.503 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -105.56 156.74 17.95 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.424 -172.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' HD22 ' A' ' 58' ' ' LEU . 85.2 m-85 -136.52 146.93 46.78 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 pt -79.18 -15.89 13.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -136.3 152.3 50.54 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -73.87 -30.37 62.6 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 173.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 m -62.47 -37.61 86.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.99 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -68.26 -44.19 76.14 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.114 0.483 . . . . 0.0 110.637 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.2 tm? -62.21 -49.63 74.98 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -62.13 -39.43 92.52 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.2 m -66.97 -29.8 69.75 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.803 0.811 . . . . 0.0 109.29 176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.624 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 61.7 t60 -56.27 -28.13 57.58 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.606 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.66 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 10.7 m-85 -100.77 11.79 38.84 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 119.054 -1.059 . . . . 0.0 109.787 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.33 -31.17 69.43 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 m -71.78 117.11 12.95 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.556 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.71 -34.43 77.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.527 0.731 . . . . 0.0 112.663 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.78 -42.61 71.95 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.032 0.533 . . . . 0.0 112.217 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -63.09 -55.84 21.95 Favored 'General case' 0 CA--C 1.47 -2.116 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.039 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt . . . . . 0 C--N 1.277 -2.556 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.154 -175.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.477 0.545 0 N-CA-C 115.809 1.427 . . . . 0.0 115.809 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 56.29 2.62 Favored Glycine 0 CA--C 1.478 -2.238 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.6 11.39 53.29 Favored Glycine 0 N--CA 1.435 -1.414 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -175.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.6 -7.77 4.81 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.491 -0.354 . . . . 0.0 113.194 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.99 -30.65 24.04 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.841 0.321 . . . . 0.0 111.861 -175.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 94.3 m-70 -84.16 85.07 7.4 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -140.74 148.55 40.89 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.376 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.672 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.8 t -96.09 116.98 29.8 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.76 -34.59 78.69 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.15 -23.3 67.08 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.649 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -107.78 -19.24 13.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.06 22.57 12.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.228 0.611 . . . . 0.0 110.212 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.436 ' HA ' ' HE ' ' A' ' 50' ' ' ARG . 5.0 mmp_? -104.51 148.83 26.03 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -105.54 134.83 48.01 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.831 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CD1' HD22 ' A' ' 58' ' ' LEU . 55.4 m-85 -114.57 151.12 33.93 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.42 -31.67 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -148.2 174.84 11.57 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.299 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.579 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 32.6 t -78.06 -26.42 48.23 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.3 m -67.89 -44.88 75.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -62.67 -46.46 88.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.252 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.546 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -63.82 -47.5 80.56 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.683 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.31 -39.04 85.54 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.4 m -62.1 -33.4 74.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.132 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 68.5 t60 -62.14 -30.34 70.97 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.511 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.672 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 20.9 m-85 -95.25 -2.6 49.16 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 118.462 -1.295 . . . . 0.0 109.739 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -71.04 -17.88 62.59 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.4 m -71.24 97.5 1.56 Allowed 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 170.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -59.48 -26.37 65.2 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -175.124 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.6 -32.04 73.11 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -62.44 -56.17 20.77 Favored 'General case' 0 C--O 1.197 -1.689 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.407 -177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 50.3 mtpt . . . . . 0 C--N 1.278 -2.541 0 CA-C-O 121.269 0.557 . . . . 0.0 110.382 -175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 C--O 1.244 0.782 0 N-CA-C 111.089 -0.389 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.56 18.15 79.33 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.2 3.43 65.27 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.763 -0.719 . . . . 0.0 111.73 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.57 7.41 79.26 Favored Glycine 0 N--CA 1.432 -1.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -173.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -90.09 -18.91 25.01 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.438 0.637 . . . . 0.0 110.113 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.556 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 74.6 m-70 -120.96 96.22 5.02 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -138.33 150.05 46.22 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.561 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.1 t -96.53 116.06 28.46 Favored 'General case' 0 C--N 1.274 -2.702 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 169.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.5 -34.11 76.45 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.066 0.46 . . . . 0.0 111.141 -174.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -22.89 65.1 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.557 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.43 -18.86 13.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 65.89 25.8 11.13 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.687 0.795 . . . . 0.0 112.104 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -104.21 149.93 24.84 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.258 0.552 . . . . 0.0 110.192 176.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -105.76 123.56 48.14 Favored 'General case' 0 N--CA 1.407 -2.58 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 29.8 m-85 -115.63 151.04 35.73 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.7 mm -60.74 -33.86 56.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -152.43 162.89 40.56 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.947 -176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.556 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 33.5 t -66.97 -23.76 65.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 110.07 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.4 m -64.65 -32.99 74.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -70.74 -40.7 72.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 52' ' ' PHE . 4.0 mm? -60.21 -53.24 60.06 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.331 174.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -54.74 -41.27 70.18 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 124.214 0.946 . . . . 0.0 110.614 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.0 m -63.3 -40.51 97.56 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.433 0.635 . . . . 0.0 110.046 174.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.83 -38.46 91.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.791 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 33.3 m-85 -86.53 14.38 6.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.058 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -70.53 -16.49 62.89 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.098 173.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.1 m -71.49 98.02 1.76 Allowed 'General case' 0 N--CA 1.411 -2.393 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.53 -34.3 75.63 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.915 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.45 -31.93 69.76 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.846 0.831 . . . . 0.0 109.756 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -69.06 -54.96 12.32 Favored 'General case' 0 CA--C 1.488 -1.421 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.612 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 27.4 mtpp . . . . . 0 C--N 1.302 -1.477 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.75 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 C--O 1.239 0.563 0 CA-C-O 121.226 0.428 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.57 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 68.41 20.33 73.44 Favored Glycine 0 CA--C 1.494 -1.267 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.752 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.82 11.8 63.61 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 72.61 8.89 73.11 Favored Glycine 0 N--CA 1.433 -1.549 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.99 -15.76 43.16 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.088 0.555 . . . . 0.0 111.707 -175.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 84.9 m-70 -122.43 101.02 7.25 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -144.05 156.26 44.31 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 121.64 0.733 . . . . 0.0 112.084 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.559 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 15.4 t -95.57 119.13 33.53 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.56 -37.52 86.49 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.226 0.536 . . . . 0.0 110.581 -177.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.49 64.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.016 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.18 -15.01 11.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.43 13.95 5.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.487 1.115 . . . . 0.0 112.11 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -104.64 152.47 22.42 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.485 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 55.5 m-85 -104.45 150.36 24.62 Favored 'General case' 0 N--CA 1.414 -2.265 0 O-C-N 123.825 0.703 . . . . 0.0 109.364 -174.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.483 ' CE1' HD21 ' A' ' 58' ' ' LEU . 68.4 m-85 -128.87 146.63 50.89 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.57 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -61.64 -37.45 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.477 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -140.53 154.89 46.72 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.454 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 29.8 t -61.12 -28.73 69.31 Favored 'General case' 0 C--O 1.206 -1.206 0 O-C-N 123.39 0.431 . . . . 0.0 111.09 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.7 m -62.39 -38.15 88.53 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.18 0.514 . . . . 0.0 110.226 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -71.56 -38.1 71.0 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.581 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -67.66 -48.22 67.26 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.125 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.83 -43.5 77.06 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 123.994 0.918 . . . . 0.0 111.407 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.9 m -62.78 -30.22 71.29 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.52 0.676 . . . . 0.0 110.437 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.581 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 45.9 t60 -61.03 -30.82 70.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.473 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.9 m-85 -90.58 12.56 18.43 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 118.101 -1.44 . . . . 0.0 110.543 -178.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.33 10.87 9.46 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 122.127 0.965 . . . . 0.0 110.617 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 t -97.07 109.69 22.39 Favored 'General case' 0 N--CA 1.412 -2.336 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -61.0 -42.25 98.1 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.1 -31.87 65.72 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 121.649 0.738 . . . . 0.0 111.422 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -66.98 -56.45 10.11 Favored 'General case' 0 CA--C 1.479 -1.768 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.431 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt . . . . . 0 C--N 1.28 -2.455 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.238 -176.3 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 C--O 1.245 0.854 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.34 32.72 84.57 Favored Glycine 0 CA--C 1.499 -0.955 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.99 1.11 31.14 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.382 -0.409 . . . . 0.0 112.326 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.34 88.62 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.98 -26.49 27.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.212 0.529 . . . . 0.0 111.394 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -102.64 95.21 6.07 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 147.83 45.3 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.551 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 9.9 t -95.52 117.66 30.81 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.923 -1.49 . . . . 0.0 107.268 173.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.87 -34.36 75.87 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.334 0.396 . . . . 0.0 111.671 -176.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.38 -17.73 64.3 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.856 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.6 m -115.31 -18.64 11.02 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.5 20.21 9.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.994 0.918 . . . . 0.0 109.979 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -104.83 143.22 33.43 Favored 'General case' 0 CA--C 1.482 -1.638 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.771 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -104.72 140.87 37.43 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.427 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CD1' HD22 ' A' ' 58' ' ' LEU . 79.2 m-85 -118.58 147.02 44.14 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.515 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -59.04 -32.18 47.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 124.339 1.056 . . . . 0.0 112.733 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -151.46 154.42 36.56 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 35.2 t -58.33 -31.85 67.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 123.373 0.669 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.6 m -64.06 -39.44 94.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -39.22 86.73 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 120.794 0.331 . . . . 0.0 110.655 177.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.594 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -64.88 -51.8 60.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.292 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 55' ' ' SER . 17.9 ptpt -63.36 -34.93 78.78 Favored 'General case' 0 C--N 1.298 -1.63 0 CA-C-O 120.892 0.377 . . . . 0.0 111.828 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -68.24 -30.29 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.884 0.849 . . . . 0.0 110.049 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.594 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 50.5 t60 -59.33 -29.08 67.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.629 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.551 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 23.5 m-85 -89.72 1.91 55.48 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.831 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -75.02 -10.7 59.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.471 0.653 . . . . 0.0 110.397 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 114.72 11.11 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.848 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.465 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.708 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.57 -38.02 66.19 Favored 'General case' 0 C--O 1.202 -1.435 0 C-N-CA 123.294 0.638 . . . . 0.0 111.467 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.6 -54.36 28.86 Favored 'General case' 0 CA--C 1.465 -2.294 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.502 -176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt . . . . . 0 N--CA 1.395 -3.189 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.043 -174.439 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo . . . . . 0 C--O 1.248 1.014 0 N-CA-C 110.611 -0.573 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.93 26.52 71.35 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.397 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.56 11.41 72.46 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.598 -0.301 . . . . 0.0 112.564 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.57 10.39 86.27 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.022 -0.608 . . . . 0.0 111.905 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.4 mt -90.24 -33.91 15.98 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-O 121.219 0.533 . . . . 0.0 111.197 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 70.6 m-70 -96.99 91.71 5.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -174.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.407 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.1 ptt180 -144.24 145.39 32.02 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.611 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.589 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 30.0 t -96.05 116.37 28.85 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 174.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.49 -40.12 95.69 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.387 0.43 . . . . 0.0 111.771 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.45 64.09 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.788 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.3 m -111.24 -13.28 14.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.11 19.71 7.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.708 0.803 . . . . 0.0 110.933 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -105.32 146.92 28.72 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.06 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.407 ' CE2' ' HD3' ' A' ' 44' ' ' ARG . 96.6 m-85 -105.8 143.52 33.82 Favored 'General case' 0 N--CA 1.398 -3.037 0 CA-C-N 114.272 -1.331 . . . . 0.0 108.783 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.467 ' CD1' HD22 ' A' ' 58' ' ' LEU . 67.9 m-85 -126.28 144.46 50.79 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.57 -21.81 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -148.25 153.88 39.32 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.992 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 36.9 t -63.2 -29.85 71.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 122.752 0.421 . . . . 0.0 111.034 -178.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.9 m -65.56 -38.3 89.19 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -66.36 -41.74 89.03 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 121.125 0.488 . . . . 0.0 110.853 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -66.25 -49.37 67.4 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.173 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.58 -35.89 77.97 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.1 m -63.12 -30.87 71.94 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.635 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 58.0 t60 -60.81 -28.77 69.04 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.686 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 16.4 m-85 -93.57 -8.53 40.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.58 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -68.98 -11.58 60.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.366 0.603 . . . . 0.0 111.168 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.8 m -75.02 105.31 5.98 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.4 -39.82 67.63 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.86 0.864 . . . . 0.0 112.067 -175.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.98 -33.19 62.29 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 123.797 0.839 . . . . 0.0 111.869 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -69.54 -49.06 57.92 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.782 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.5 mtpt . . . . . 0 C--N 1.26 -3.308 0 C-N-CA 119.829 -0.749 . . . . 0.0 109.996 -174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' O ' ' HB3' ' A' ' 51' ' ' TYR . 39.7 Cg_exo . . . . . 0 C--O 1.241 0.631 0 CA-C-O 121.491 0.538 . . . . 0.0 113.133 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 73.85 22.39 78.18 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.891 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.42 5.52 55.33 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.234 -0.483 . . . . 0.0 112.674 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.93 13.88 69.97 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.85 -35.17 11.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 122.765 0.426 . . . . 0.0 110.801 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 78.0 m-70 -102.29 90.38 3.89 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -176.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.13 148.73 45.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.752 0.787 . . . . 0.0 111.581 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.68 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 9.3 t -96.48 117.05 30.1 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 170.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.47 -34.14 77.59 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.396 0.435 . . . . 0.0 110.669 -175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.23 72.36 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.017 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -96.04 -23.35 16.85 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 28.56 18.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.935 0.874 . . . . 0.0 109.545 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.37 154.6 24.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.997 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 38' ' ' PRO . 54.8 m-85 -104.71 129.3 52.93 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.441 -177.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.478 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 75.9 m-85 -113.46 141.64 46.87 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.422 HD11 ' H ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -65.09 -40.36 88.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.906 -176.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.522 ' HB3' HD21 ' A' ' 57' ' ' ASN . 12.4 t70 -135.81 149.16 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.154 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -59.13 -34.36 71.95 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 123.771 0.669 . . . . 0.0 111.904 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.3 m -63.07 -35.77 81.35 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.525 0.679 . . . . 0.0 109.887 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.522 HD21 ' HB3' ' A' ' 54' ' ' ASP . 34.5 m-80 -68.12 -42.3 80.41 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.066 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.546 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.5 tm? -66.58 -47.34 73.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.717 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.519 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 8.8 mmpt? -58.24 -44.05 88.09 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.24 175.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.7 m -62.88 -33.57 75.56 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.588 0.709 . . . . 0.0 110.199 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 70.9 t60 -59.14 -29.24 67.27 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.487 -1.233 . . . . 0.0 113.198 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.68 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -97.42 4.74 50.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 117.477 -1.689 . . . . 0.0 110.703 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -78.73 -0.97 32.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -89.62 111.16 22.03 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -65.95 -25.76 67.27 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.787 -178.057 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.513 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.6 m-20 -64.04 -31.65 72.91 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 123.191 0.596 . . . . 0.0 111.362 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -66.32 -55.28 16.74 Favored 'General case' 0 CA--C 1.478 -1.79 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.367 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt . . . . . 0 C--N 1.271 -2.835 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.192 -174.741 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo . . . . . 0 C--O 1.245 0.86 0 N-CA-C 111.167 -0.359 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.12 73.44 Favored Glycine 0 N--CA 1.436 -1.32 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.378 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.27 0.97 67.91 Favored Glycine 0 N--CA 1.433 -1.564 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.76 -2.07 86.91 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -176.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -90.69 -37.07 13.97 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-O 121.131 0.491 . . . . 0.0 110.936 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 89.0 m-70 -89.16 86.43 6.87 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.52 0.676 . . . . 0.0 110.097 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -134.92 155.63 50.38 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.557 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.512 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 38.1 t -97.06 116.93 30.14 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.0 -39.18 90.06 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.225 0.536 . . . . 0.0 109.731 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -17.8 62.42 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.289 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -116.96 -10.46 10.95 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.2 17.42 6.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.716 0.806 . . . . 0.0 111.237 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -104.91 142.47 34.7 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -105.08 137.11 43.36 Favored 'General case' 0 N--CA 1.411 -2.375 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.431 ' CD1' HD22 ' A' ' 58' ' ' LEU . 72.4 m-85 -115.58 144.32 44.06 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -62.9 -25.34 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.522 ' HB3' HD21 ' A' ' 57' ' ' ASN . 25.3 t70 -145.7 151.63 38.32 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.628 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 30.5 p -57.14 -33.19 67.14 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 111.484 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -66.63 -33.24 75.21 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.522 HD21 ' HB3' ' A' ' 54' ' ' ASP . 39.2 m-80 -69.3 -42.04 75.97 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-O 121.415 0.626 . . . . 0.0 109.473 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -62.59 -50.51 71.01 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.688 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.73 -43.17 94.33 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.192 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -64.62 -31.57 72.85 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.334 0.588 . . . . 0.0 110.051 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 27.3 t60 -58.85 -30.11 67.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.029 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.522 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 24.7 m-85 -85.16 3.74 37.69 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.476 -1.29 . . . . 0.0 111.038 -178.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -67.7 -7.74 29.55 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.459 0.647 . . . . 0.0 111.002 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -72.16 97.62 1.98 Allowed 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 169.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -65.29 -25.8 67.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.471 -177.272 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.48 -34.69 78.48 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.864 0.84 . . . . 0.0 109.113 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -72.86 -47.73 43.59 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.293 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 51.8 mtmt . . . . . 0 C--N 1.285 -2.213 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.483 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 C--O 1.245 0.857 0 N-CA-C 111.089 -0.389 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.86 20.3 75.93 Favored Glycine 0 CA--C 1.501 -0.792 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.6 15.05 59.01 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 -177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 75.75 5.27 78.7 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.205 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.7 -8.32 54.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.003 0.43 . . . . 0.0 111.825 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -128.46 99.62 5.46 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.0 ptt180 -143.85 151.77 40.31 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-O 122.043 0.925 . . . . 0.0 113.089 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.629 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.5 t -96.4 117.14 30.26 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -42.24 98.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 123.749 0.82 . . . . 0.0 111.061 -175.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.253 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 100.0 m -96.95 -14.04 21.99 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.861 -0.736 . . . . 0.0 112.11 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.47 15.77 4.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.376 1.07 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 41.3 mmt180 -104.81 148.11 26.99 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.445 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 78.1 m-85 -104.23 141.16 36.77 Favored 'General case' 0 N--CA 1.397 -3.09 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.532 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 5.6 m-85 -121.76 152.94 38.91 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.6 pt -60.48 -33.55 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.09 160.26 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.84 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -65.04 -27.44 68.8 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.691 0.796 . . . . 0.0 111.578 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.3 p -60.32 -44.51 95.39 Favored 'General case' 0 N--CA 1.414 -2.232 0 CA-C-O 121.601 0.715 . . . . 0.0 110.027 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -60.3 -43.34 96.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.653 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.532 ' CD2' ' HB2' ' A' ' 52' ' ' PHE . 3.6 mm? -61.92 -54.46 41.65 Favored 'General case' 0 CA--C 1.479 -1.765 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.63 -36.2 78.05 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.915 -177.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.5 m -71.82 -34.0 68.97 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.71 0.767 . . . . 0.0 109.689 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.35 -37.52 87.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.134 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 39.5 m-85 -83.53 6.43 20.46 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.507 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -71.56 -6.16 38.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.219 0.533 . . . . 0.0 111.148 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -75.65 106.44 7.21 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.98 -37.99 84.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.008 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.88 -37.5 79.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.895 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -70.74 -45.4 64.93 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.119 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt . . . . . 0 C--N 1.268 -2.958 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.663 -178.37 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--O 1.235 0.347 0 CA-C-O 121.119 0.383 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.33 -2.52 66.13 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.405 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.34 9.23 53.84 Favored Glycine 0 N--CA 1.438 -1.185 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.21 25.52 36.66 Favored Glycine 0 N--CA 1.431 -1.669 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -119.25 -165.68 1.17 Allowed 'General case' 1 N--CA 1.36 -4.944 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 39.66 66.64 0.55 Allowed 'General case' 0 C--N 1.281 -2.376 0 C-N-CA 126.123 1.769 . . . . 0.0 110.633 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -126.9 144.94 50.85 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.081 0.943 . . . . 0.0 113.379 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.47 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 26.5 t -94.82 117.37 30.02 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.02 -33.94 76.89 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.116 0.484 . . . . 0.0 110.697 -176.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.76 65.05 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.854 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.87 -14.45 10.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.77 14.99 5.51 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.332 1.053 . . . . 0.0 112.336 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 151.43 24.88 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -104.21 145.18 30.58 Favored 'General case' 0 N--CA 1.407 -2.608 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CE1' HD23 ' A' ' 58' ' ' LEU . 61.7 m-85 -120.78 146.02 46.95 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 pt -71.47 -26.83 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.842 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -140.11 153.05 46.59 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.335 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -63.14 -31.32 72.43 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.559 0.744 . . . . 0.0 110.422 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.9 m -61.89 -42.64 99.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -66.86 -41.95 86.5 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 123.662 0.785 . . . . 0.0 110.818 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -65.73 -48.74 70.91 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.729 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.19 -42.96 92.1 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.8 m -62.1 -30.05 70.74 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.769 0.795 . . . . 0.0 110.32 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.646 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 41.6 t60 -60.5 -29.9 69.37 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.177 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.47 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.8 m-85 -91.09 8.99 32.79 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.409 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.29 -12.7 61.26 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.058 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 m -78.81 99.39 6.69 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -64.37 -25.46 68.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -175.292 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.442 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.0 t70 -61.36 -32.3 72.2 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 122.131 0.967 . . . . 0.0 109.876 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -68.05 -50.81 52.9 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.491 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt . . . . . 0 C--N 1.279 -2.463 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.433 -176.746 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.242 0.704 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.09 133.74 45.66 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.327 2.018 . . . . 0.0 111.619 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t30 53.29 77.86 0.16 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 124.454 1.101 . . . . 0.0 112.69 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -167.54 90.07 0.33 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.892 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -83.99 -17.14 41.5 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 122.469 1.128 . . . . 0.0 108.904 174.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -104.18 169.17 8.64 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 113.502 -1.681 . . . . 0.0 109.617 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 12.2 t70 -104.74 135.39 19.31 Favored Pre-proline 0 C--N 1.305 -1.369 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 175.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -84.99 1.0 8.74 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.271 1.981 . . . . 0.0 115.097 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -103.11 -31.71 10.02 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.47 0.652 . . . . 0.0 109.997 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.56 133.47 32.72 Favored Pre-proline 0 C--N 1.297 -1.709 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.96 -176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.38 129.99 33.8 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 122.662 2.241 . . . . 0.0 111.04 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 76.37 21.54 75.15 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 34' ' ' ASP . . . 70.18 7.93 60.89 Favored Glycine 0 CA--C 1.493 -1.307 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.926 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.05 10.93 78.7 Favored Glycine 0 N--CA 1.437 -1.27 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -95.02 -10.87 29.6 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 123.211 0.604 . . . . 0.0 112.46 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.64 99.46 6.18 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -129.25 148.14 51.15 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.354 0.597 . . . . 0.0 110.893 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.59 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 19.2 t -97.27 115.81 28.32 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 163.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.8 -36.8 84.54 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 120.915 0.388 . . . . 0.0 111.233 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -17.86 65.0 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.741 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.8 m -114.19 -12.76 12.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.43 24.02 9.71 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.632 0.73 . . . . 0.0 110.557 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -105.42 143.52 33.47 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.907 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.61 128.3 53.54 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.498 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.441 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 76.1 m-85 -111.86 146.0 38.48 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 pt -61.89 -29.98 47.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -149.06 156.01 41.59 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -61.65 -32.77 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.561 0.538 . . . . 0.0 110.637 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.5 m -64.05 -40.14 95.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -68.2 -37.15 80.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.253 0.549 . . . . 0.0 111.227 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -67.55 -50.46 58.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.263 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.19 -34.27 77.71 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.5 m -64.32 -30.26 71.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.881 0.848 . . . . 0.0 109.703 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 33.7 t60 -63.69 -28.78 70.13 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.554 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.59 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 22.4 m-85 -85.65 6.71 26.27 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 118.478 -1.289 . . . . 0.0 110.62 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -75.06 3.41 8.53 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.841 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 m -85.08 104.75 15.27 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -59.48 -30.88 68.85 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.539 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 16.5 t70 -71.33 -30.48 66.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.742 0.782 . . . . 0.0 110.722 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.572 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.2 t60 -64.55 -52.72 56.21 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -69.88 -29.28 66.45 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.331 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 73.0 tttt -58.02 -44.57 87.38 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.813 169.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -69.27 -31.32 69.76 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 72.4 mt -67.75 -39.0 84.22 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.973 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.13 -41.24 97.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.462 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.4 -40.33 81.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.189 0.519 . . . . 0.0 111.029 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.1 tp -78.94 -16.59 56.78 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.031 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t 77.42 23.07 0.89 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.423 1.089 . . . . 0.0 110.954 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.68 -58.91 5.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.02 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -142.9 96.83 5.94 Favored Pre-proline 0 N--CA 1.427 -1.6 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.639 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.84 126.32 15.75 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.249 1.966 . . . . 0.0 108.88 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' A' ' 84' ' ' ALA . 97.6 m-85 69.77 90.87 0.09 Allowed 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.89 0.876 . . . . 0.0 110.25 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.7 t -103.37 -165.89 1.21 Allowed 'General case' 0 N--CA 1.418 -2.052 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.66 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -69.8 150.45 46.85 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 80.2 -0.24 2.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.119 1.368 . . . . 0.0 110.083 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' A' ' 79' ' ' TYR . 44.1 tt0 -128.83 -60.12 1.1 Allowed 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.205 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 79' ' ' TYR . . . -99.2 23.07 9.61 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.31 1.052 . . . . 0.0 109.932 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.8 93.41 0.11 Allowed 'General case' 0 N--CA 1.398 -3.05 0 N-CA-C 104.034 -2.58 . . . . 0.0 104.034 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -123.52 148.82 45.91 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -174.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.47 39.98 1.43 Allowed 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.29 79.99 1.94 Allowed 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.315 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.98 -120.96 0.55 Allowed Glycine 0 C--N 1.277 -2.7 0 CA-C-N 114.018 -1.446 . . . . 0.0 110.69 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.58 92.19 0.05 Allowed 'General case' 0 C--O 1.243 0.739 0 C-N-CA 124.343 1.057 . . . . 0.0 110.109 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -121.34 66.54 0.45 Allowed Glycine 0 N--CA 1.428 -1.895 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.6 m -115.13 116.02 27.71 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-O 120.864 0.364 . . . . 0.0 110.743 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -114.15 160.46 18.94 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.259 1.553 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 178.079 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -63.35 -177.17 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 123.017 2.478 . . . . 0.0 111.849 176.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.12 -34.97 75.82 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 65.66 90.17 0.09 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.375 1.07 . . . . 0.0 111.442 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.96 -24.57 52.31 Favored 'General case' 0 N--CA 1.426 -1.648 0 CA-C-O 121.723 0.773 . . . . 0.0 109.189 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 47.3 p90 -82.57 167.97 17.81 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.877 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -92.19 122.66 64.46 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -72.79 -10.0 24.44 Favored 'Trans proline' 0 C--O 1.245 0.861 0 C-N-CA 122.661 2.24 . . . . 0.0 114.253 -177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -88.15 -33.42 18.21 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mp -89.73 139.66 27.86 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.593 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -61.74 114.77 2.41 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.258 1.972 . . . . 0.0 111.761 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.93 20.86 72.99 Favored Glycine 0 CA--C 1.505 -0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 69.94 7.85 60.0 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 -177.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.54 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 76.95 3.52 80.99 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.885 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.4 -9.2 58.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.238 0.615 . . . . 0.0 111.656 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -127.36 99.3 5.58 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.8 ptt180 -145.81 151.35 37.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.771 0.796 . . . . 0.0 112.956 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.507 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 23.5 t -97.05 117.74 31.9 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 113.98 -1.464 . . . . 0.0 107.114 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.0 -36.88 85.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.991 0.424 . . . . 0.0 111.114 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.05 67.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.192 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.86 -14.59 14.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 64.1 12.46 7.02 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.401 1.08 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -106.14 154.52 20.56 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 85.8 m-85 -105.14 145.85 30.0 Favored 'General case' 0 N--CA 1.406 -2.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD1' HD22 ' A' ' 58' ' ' LEU . 76.9 m-85 -120.08 153.5 36.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 pt -63.44 -39.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.09 177.77 8.71 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.195 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -70.57 -31.78 68.93 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -64.17 -47.11 81.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.253 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -63.22 -40.21 96.81 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.484 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.579 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -63.13 -50.49 70.24 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.809 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.03 -34.79 78.32 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -61.36 -30.3 70.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.994 0.902 . . . . 0.0 109.488 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 34.5 t60 -65.47 -28.89 69.54 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.565 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.507 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 22.8 m-85 -91.06 14.03 15.16 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.243 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.562 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 3.6 mmp_? -75.9 2.57 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -91.35 108.98 20.25 Favored 'General case' 0 N--CA 1.42 -1.927 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -58.58 -35.59 72.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.542 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 6.9 m-20 -64.95 -30.07 71.04 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.123 0.969 . . . . 0.0 112.052 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.76 -56.09 6.41 Favored 'General case' 0 CA--C 1.478 -1.822 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.79 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.462 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.1 mtpt -64.52 -28.8 69.9 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.789 -178.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 77.3 tttt -54.63 -47.97 72.82 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.098 170.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -62.6 -34.71 77.57 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.292 0.567 . . . . 0.0 110.158 -177.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.12 -35.63 80.16 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.282 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -74.71 -27.85 60.55 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.765 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -68.4 -39.78 81.54 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 74' ' ' LEU . 6.0 tt -74.12 -30.93 62.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.0 t 71.78 86.83 0.11 Allowed 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 125.951 1.7 . . . . 0.0 110.362 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 m -74.29 -37.95 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.039 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.017 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -84.45 154.63 62.67 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 170.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -66.71 129.42 21.01 Favored 'Trans proline' 0 C--O 1.252 1.22 0 C-N-CA 121.81 1.673 . . . . 0.0 110.088 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 67.36 169.15 0.25 Allowed 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.394 1.078 . . . . 0.0 112.779 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -89.07 179.79 6.07 Favored 'General case' 0 N--CA 1.396 -3.127 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -39.65 88.98 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -89.17 66.62 7.74 Favored 'General case' 0 C--N 1.259 -3.334 0 CA-C-O 122.383 1.087 . . . . 0.0 109.227 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 172.54 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 112.356 -2.202 . . . . 0.0 107.042 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -141.87 103.8 4.4 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.115 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.51 -67.62 0.84 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 62.88 69.57 0.58 Allowed 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.989 -1.46 . . . . 0.0 111.14 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.25 -85.63 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.229 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 168.34 97.19 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.214 1.405 . . . . 0.0 108.245 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.85 -118.78 3.42 Favored Glycine 0 N--CA 1.435 -1.379 0 C-N-CA 120.219 -0.991 . . . . 0.0 111.194 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 87.2 mtp -84.83 95.71 9.07 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.178 0.513 . . . . 0.0 109.881 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.16 -24.1 12.01 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m 68.44 129.83 0.03 OUTLIER 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.726 1.211 . . . . 0.0 112.958 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -83.7 95.34 8.36 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 122.356 1.074 . . . . 0.0 109.351 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.261 -3.265 0 CA-C-N 113.145 -1.843 . . . . 0.0 107.729 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 CA--C 1.514 -0.419 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -85.1 -169.66 0.66 Allowed 'Trans proline' 0 CA--C 1.511 -0.673 0 C-N-CA 122.658 2.239 . . . . 0.0 110.89 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.84 -26.92 67.88 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 75.83 79.51 0.1 Allowed 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 125.75 1.62 . . . . 0.0 111.95 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -124.11 95.27 4.49 Favored 'General case' 0 N--CA 1.39 -3.474 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -127.17 156.13 42.3 Favored 'General case' 0 C--N 1.254 -3.555 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.041 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.73 126.57 75.29 Favored Pre-proline 0 C--N 1.302 -1.463 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -91.33 8.91 3.08 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.222 1.948 . . . . 0.0 114.702 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -107.85 -34.1 7.04 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mp -91.63 131.91 34.67 Favored Pre-proline 0 C--N 1.3 -1.572 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.832 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.1 140.7 93.78 Favored 'Trans proline' 0 C--O 1.252 1.199 0 C-N-CA 122.641 2.227 . . . . 0.0 112.065 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 69.58 30.63 70.83 Favored Glycine 0 CA--C 1.502 -0.771 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.245 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.87 7.33 58.82 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.631 -0.285 . . . . 0.0 113.027 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.67 9.43 86.28 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.098 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.38 -12.82 22.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -126.72 100.78 6.34 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.083 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.09 147.22 38.19 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.39 0.614 . . . . 0.0 112.345 178.036 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.442 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.9 t -97.04 116.19 28.8 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 169.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.78 -32.64 74.06 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.362 0.601 . . . . 0.0 110.931 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.65 -18.32 65.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.63 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 74.1 m -117.95 -11.24 10.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.12 7.2 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.95 0.9 . . . . 0.0 111.097 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.2 mmt180 -105.79 143.81 33.41 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.418 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 44.2 m-85 -105.24 142.98 34.05 Favored 'General case' 0 N--CA 1.406 -2.663 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.175 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.459 ' CE1' HD22 ' A' ' 58' ' ' LEU . 70.4 m-85 -121.36 149.65 42.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.123 -176.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -62.34 -29.75 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.493 ' HB3' HD21 ' A' ' 57' ' ' ASN . 26.6 t70 -148.65 157.61 43.57 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -62.4 -32.15 72.93 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 123.355 0.409 . . . . 0.0 110.686 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.7 m -66.07 -36.71 83.93 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.782 0.325 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.493 HD21 ' HB3' ' A' ' 54' ' ' ASP . 36.7 m-80 -69.77 -39.15 76.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 121.237 0.541 . . . . 0.0 110.419 177.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.1 tm? -64.57 -49.24 71.97 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.089 176.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.75 -37.45 79.04 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.916 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' ' 63' ' ' ARG . 90.8 m -63.51 -29.78 71.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.227 1.013 . . . . 0.0 110.342 176.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.604 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 25.1 t60 -62.99 -28.64 70.24 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.906 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.445 ' O ' ' HD3' ' A' ' 68' ' ' LYS . 21.7 m-85 -89.09 15.9 8.0 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.826 -178.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 60' ' ' THR . 6.5 mpt_? -67.79 -11.03 57.64 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.551 171.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 p -72.94 107.1 5.13 Favored 'General case' 0 N--CA 1.422 -1.845 0 C-N-CA 124.096 0.958 . . . . 0.0 109.642 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.6 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -33.05 73.09 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.6 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.6 t70 -72.7 -31.36 64.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-O 121.43 0.633 . . . . 0.0 109.711 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.657 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 16.0 t60 -64.11 -51.3 64.61 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.695 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 62' ' ' PHE . 48.3 mtmt -70.05 -29.77 66.87 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.662 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -66.04 -39.95 90.59 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -62.8 -32.36 73.52 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 76.0 mt -75.58 -44.11 44.87 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.249 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -65.82 -39.05 90.47 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.974 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -78.17 -21.38 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.369 0.604 . . . . 0.0 110.872 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 74' ' ' LEU . 6.3 tt -76.55 -27.7 56.0 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -70.87 161.55 30.8 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.435 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.8 t -88.07 -46.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 120.772 0.32 . . . . 0.0 111.849 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.55 -52.1 72.23 Favored Pre-proline 0 CA--C 1.564 1.51 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -74.82 160.67 40.39 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 121.696 1.597 . . . . 0.0 111.729 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 64.83 115.64 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.413 1.085 . . . . 0.0 112.979 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.0 m -76.21 104.2 6.62 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 64.1 tt0 -71.19 72.95 0.65 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.217 -174.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -163.2 -54.53 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 128.056 2.542 . . . . 0.0 105.475 175.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -78.72 -32.85 47.02 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 113.732 -1.576 . . . . 0.0 109.396 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -129.45 104.48 7.5 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 87' ' ' ALA . 44.8 mt-10 -117.74 65.61 0.74 Allowed 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -178.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 70.33 -24.77 0.16 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.861 1.265 . . . . 0.0 114.068 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 85' ' ' GLU . . . 71.69 87.34 0.11 Allowed 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.04 1.336 . . . . 0.0 111.279 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.54 -23.56 21.98 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.331 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 -14.91 52.81 Favored Glycine 0 C--N 1.318 -0.422 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.799 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.9 mtt -88.3 136.6 32.9 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 122.72 0.408 . . . . 0.0 110.157 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.12 -73.35 0.05 OUTLIER Glycine 0 N--CA 1.436 -1.333 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 p -82.49 99.46 9.48 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -147.37 139.34 24.29 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 118.827 -0.606 . . . . 0.0 109.994 -178.536 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--O 1.237 0.398 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -51.74 133.91 46.06 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 123.295 2.664 . . . . 0.0 113.437 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 62.71 13.99 6.87 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.741 1.216 . . . . 0.0 112.096 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.59 86.28 2.55 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.188 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -62.9 -39.92 95.98 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.018 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -64.91 141.84 58.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.342 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.03 128.09 51.16 Favored Pre-proline 0 C--N 1.298 -1.671 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -66.84 -18.65 52.88 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 122.908 2.406 . . . . 0.0 115.08 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -81.58 -30.49 32.98 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-O 121.887 0.851 . . . . 0.0 109.451 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.46 132.58 44.38 Favored Pre-proline 0 C--N 1.293 -1.874 0 CA-C-N 114.509 -1.223 . . . . 0.0 108.842 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.63 106.09 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.175 1.917 . . . . 0.0 110.814 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.44 30.66 76.95 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.61 6.45 55.09 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 111.749 -0.541 . . . . 0.0 111.749 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.48 12.78 77.39 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.35 -23.81 19.12 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-O 121.017 0.437 . . . . 0.0 110.949 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.584 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 79.9 m-70 -110.14 96.54 6.29 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -142.85 161.12 38.95 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 121.609 0.719 . . . . 0.0 112.213 -178.694 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.612 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 31.8 t -95.23 116.53 28.88 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.94 -38.64 82.99 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 123.521 0.513 . . . . 0.0 111.224 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.48 -27.35 66.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.929 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.6 m -101.69 -15.34 17.03 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 63.22 11.42 5.33 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.482 1.113 . . . . 0.0 112.122 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 79.4 mtp180 -105.35 149.09 26.38 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.146 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -104.69 145.82 29.8 Favored 'General case' 0 N--CA 1.405 -2.682 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.962 -173.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' CD1' HD22 ' A' ' 58' ' ' LEU . 76.2 m-85 -124.77 146.13 49.37 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -58.38 -27.99 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB3' HD21 ' A' ' 57' ' ' ASN . 23.9 t70 -149.94 153.84 37.28 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.584 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 40.7 t -58.32 -33.95 70.07 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.158 0.583 . . . . 0.0 111.233 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -37.2 85.88 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.947 0.403 . . . . 0.0 110.094 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.483 HD21 ' HB3' ' A' ' 54' ' ' ASP . 31.0 m-80 -66.84 -41.61 87.14 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -62.11 -50.34 72.3 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.666 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 55' ' ' SER . 68.0 mttm -57.21 -39.67 75.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.594 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.9 m -63.24 -30.34 71.5 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.693 0.758 . . . . 0.0 110.489 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 29.0 t60 -62.61 -28.59 70.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.602 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.612 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 24.0 m-85 -91.1 13.44 16.9 Favored 'General case' 0 C--O 1.206 -1.207 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.032 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -67.89 -11.53 58.88 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.62 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -78.87 103.46 8.83 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.344 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -33.87 76.69 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 19.7 t70 -62.36 -31.69 72.37 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.053 0.93 . . . . 0.0 109.894 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -71.95 -49.71 35.17 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 29.1 mtpp -66.16 -29.28 69.54 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.945 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 52.3 tptt -55.53 -44.0 76.3 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.808 0.843 . . . . 0.0 110.724 171.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.69 -40.15 86.9 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 74' ' ' LEU . 10.2 mp -76.86 -29.42 55.83 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.318 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.88 -40.76 89.8 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 123.65 0.78 . . . . 0.0 112.299 -176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -69.47 -22.09 63.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.785 0.803 . . . . 0.0 110.235 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 87.5 mt -88.91 -15.12 35.15 Favored 'General case' 0 N--CA 1.424 -1.767 0 C-N-CA 125.653 1.581 . . . . 0.0 110.436 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.0 m 87.68 -60.58 0.03 OUTLIER 'General case' 0 C--O 1.248 0.994 0 C-N-CA 127.097 2.159 . . . . 0.0 107.379 -168.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -155.96 -68.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 164.68 151.02 0.05 OUTLIER Pre-proline 0 C--N 1.314 -0.957 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -46.74 106.55 0.1 Allowed 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.737 1.625 . . . . 0.0 109.843 172.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.487 ' HH ' ' HG2' ' A' ' 83' ' ' GLU . 8.2 t80 -80.25 162.87 24.39 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -172.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 t -146.82 165.27 30.2 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-O 121.603 0.715 . . . . 0.0 111.063 -173.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -79.03 5.63 11.33 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.936 1.35 . . . . 0.0 109.667 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -76.0 -5.9 48.51 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.848 -1.524 . . . . 0.0 110.259 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.487 ' HG2' ' HH ' ' A' ' 79' ' ' TYR . 12.4 tp10 -113.75 -59.77 1.97 Allowed 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.783 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -108.76 113.02 25.63 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.414 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.47 -13.58 60.72 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.476 0.485 . . . . 0.0 111.957 -177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 70.28 98.33 0.06 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.505 1.122 . . . . 0.0 112.572 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.16 28.12 17.67 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.518 0.727 . . . . 0.0 112.76 175.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.1 61.24 5.73 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 122.45 1.119 . . . . 0.0 109.949 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -156.01 144.83 11.33 Favored Glycine 0 C--N 1.286 -2.208 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.276 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 65.0 83.87 0.16 Allowed 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.41 1.084 . . . . 0.0 111.955 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.58 37.57 1.36 Allowed Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.556 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.9 p -121.16 84.79 2.29 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 120.622 0.248 . . . . 0.0 110.426 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 68.1 t80 64.28 160.16 0.1 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.793 1.237 . . . . 0.0 112.017 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.313 -1.018 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.936 178.551 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.238 0.487 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.11 150.51 78.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.987 2.458 . . . . 0.0 111.604 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 t30 57.64 82.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.175 0.99 . . . . 0.0 111.887 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -146.41 48.44 1.19 Allowed 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -79.0 90.23 4.78 Favored 'General case' 0 N--CA 1.426 -1.662 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.846 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.4 p90 177.89 167.28 0.72 Allowed 'General case' 0 C--N 1.254 -3.582 0 CA-C-N 112.347 -2.206 . . . . 0.0 109.06 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.15 98.81 3.68 Favored Pre-proline 0 N--CA 1.43 -1.443 0 C-N-CA 123.715 0.806 . . . . 0.0 111.471 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.4 -14.57 34.19 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 122.892 2.395 . . . . 0.0 112.721 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.8 -30.36 62.69 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -93.31 143.89 27.41 Favored Pre-proline 0 C--N 1.302 -1.488 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.251 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.77 129.08 32.71 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.336 2.69 . . . . 0.0 112.574 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 71.04 21.11 78.31 Favored Glycine 0 CA--C 1.497 -1.062 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.917 178.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.79 18.28 72.17 Favored Glycine 0 N--CA 1.437 -1.272 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.47 -2.28 31.0 Favored Glycine 0 N--CA 1.442 -0.916 0 O-C-N 123.938 0.434 . . . . 0.0 112.595 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.04 0.71 34.62 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 76.8 m-70 -135.13 102.67 5.27 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -142.85 152.19 41.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.222 0.534 . . . . 0.0 112.228 178.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.507 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.7 t -96.03 119.3 34.27 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.72 -30.97 70.59 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.257 0.551 . . . . 0.0 111.09 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -16.49 63.84 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.391 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.0 m -117.24 -26.41 6.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 68.71 14.06 8.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.213 1.005 . . . . 0.0 112.099 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -105.45 153.74 21.29 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -105.28 152.65 22.64 Favored 'General case' 0 N--CA 1.414 -2.261 0 C-N-CA 123.696 0.799 . . . . 0.0 110.278 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.448 ' CE1' HD23 ' A' ' 58' ' ' LEU . 64.1 m-85 -127.49 145.92 50.68 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.207 -178.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.401 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 28.5 pt -63.27 -29.54 47.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.539 ' HB3' HD21 ' A' ' 57' ' ' ASN . 13.9 t70 -146.95 154.2 40.98 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.459 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.9 t -61.08 -31.6 71.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.531 0.519 . . . . 0.0 111.012 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.5 m -61.36 -43.17 99.32 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.539 HD21 ' HB3' ' A' ' 54' ' ' ASP . 37.4 m-80 -61.79 -46.24 90.41 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.364 0.665 . . . . 0.0 110.38 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -60.06 -49.19 78.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.67 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -63.04 -38.91 93.07 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.556 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -65.03 -31.0 72.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.833 0.825 . . . . 0.0 109.618 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.625 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 37.5 t60 -56.74 -28.41 61.06 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.221 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.507 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 16.9 m-85 -92.59 7.34 43.75 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.104 -1.039 . . . . 0.0 111.091 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 5.4 mmp_? -64.23 -24.88 67.83 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.006 0.431 . . . . 0.0 110.865 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.9 m -73.58 101.99 3.75 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -63.63 -25.61 68.3 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.148 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.48 -35.42 63.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.8 0.84 . . . . 0.0 111.007 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.593 ' O ' HD13 ' A' ' 71' ' ' LEU . 5.1 t60 -67.42 -56.83 8.05 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.034 -178.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.59 ' O ' ' HD3' ' A' ' 72' ' ' LYS . 52.2 mtmt -70.32 -28.99 65.6 Favored 'General case' 0 C--N 1.281 -2.397 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.569 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.17 -39.82 91.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.809 171.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -62.86 -30.17 71.31 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.533 0.682 . . . . 0.0 109.246 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 67' ' ' HIS . 8.9 mp -71.16 -44.26 65.86 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.668 1.187 . . . . 0.0 110.54 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -68.1 -35.21 77.79 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.573 177.159 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -63.48 -39.78 95.36 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' O ' HD11 ' A' ' 74' ' ' LEU . 3.2 tm? -70.0 -30.51 67.85 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.0 m 73.15 91.68 0.09 Allowed 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 125.447 1.499 . . . . 0.0 110.738 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -91.59 -67.5 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.939 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HB3' ' HD3' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -173.17 -60.99 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.252 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.824 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.445 ' O ' ' HE2' ' A' ' 72' ' ' LYS . 94.4 Cg_endo -78.97 149.55 22.78 Favored 'Trans proline' 0 C--N 1.369 1.646 0 C-N-CA 121.422 1.415 . . . . 0.0 111.518 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -156.93 159.8 38.46 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 83' ' ' GLU . 12.1 m -93.61 142.46 27.32 Favored 'General case' 0 N--CA 1.392 -3.36 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -70.48 148.97 47.67 Favored 'General case' 0 C--N 1.271 -2.841 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.152 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 85' ' ' GLU . 37.1 tt0 78.44 -38.91 0.24 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.256 1.422 . . . . 0.0 110.408 -173.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.591 ' HB3' ' O ' ' A' ' 80' ' ' SER . 37.6 tt0 -58.08 -50.24 74.15 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 124.525 1.13 . . . . 0.0 109.693 174.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.14 6.75 45.41 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.566 0.698 . . . . 0.0 112.053 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 67.6 mm-40 -97.8 -71.95 0.67 Allowed 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.901 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -132.24 100.14 4.92 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.942 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.06 -26.28 27.09 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.75 85.13 0.21 Allowed 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.36 44.85 1.11 Allowed Glycine 0 N--CA 1.435 -1.421 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.584 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.4 ttt -161.42 120.47 2.48 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.77 -135.96 4.39 Favored Glycine 0 N--CA 1.42 -2.39 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -95.01 108.3 20.36 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.032 0.444 . . . . 0.0 110.278 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -136.96 123.3 20.67 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.267 0.556 . . . . 0.0 109.69 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--N 1.291 -1.951 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.498 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 CA--C 1.51 -0.585 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -51.58 164.1 1.01 Allowed 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.191 1.928 . . . . 0.0 111.491 173.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.444 HD21 ' HB3' ' A' ' 32' ' ' GLU . 9.5 t30 -61.45 -24.56 66.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.175 0.512 . . . . 0.0 111.368 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 69.26 32.08 3.72 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.464 1.105 . . . . 0.0 112.253 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' HB3' HD21 ' A' ' 30' ' ' ASN . 7.9 tm-20 -128.73 125.41 37.88 Favored 'General case' 0 C--N 1.279 -2.498 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -136.68 -175.66 4.09 Favored 'General case' 0 C--N 1.268 -2.959 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.838 -175.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.93 123.49 25.79 Favored Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 123.518 0.511 . . . . 0.0 110.836 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -80.92 -14.64 10.98 Favored 'Trans proline' 0 C--O 1.239 0.527 0 C-N-CA 122.751 2.3 . . . . 0.0 113.857 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -82.46 -32.66 28.8 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.37 132.42 30.44 Favored Pre-proline 0 C--N 1.294 -1.809 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.069 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -62.61 119.9 7.19 Favored 'Trans proline' 0 C--O 1.241 0.63 0 C-N-CA 122.517 2.144 . . . . 0.0 110.92 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.68 27.83 73.03 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.07 7.56 59.86 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.04 83.38 Favored Glycine 0 N--CA 1.438 -1.198 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -85.77 -24.28 26.92 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.799 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -109.5 96.48 6.31 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -139.63 150.12 44.58 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-O 121.965 0.888 . . . . 0.0 111.998 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.623 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 12.2 t -96.63 116.89 29.86 Favored 'General case' 0 C--N 1.272 -2.785 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 170.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.58 -36.58 84.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.28 65.23 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.963 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 95.2 m -112.72 -16.01 12.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.79 18.53 7.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.422 0.689 . . . . 0.0 110.713 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 94.9 mtt180 -105.93 141.97 36.43 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.083 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 90.7 m-85 -105.51 138.39 41.79 Favored 'General case' 0 N--CA 1.398 -3.046 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -122.51 154.54 37.72 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -70.15 -21.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 57' ' ' ASN . 30.2 t70 -148.68 153.25 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.838 -177.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.0 t -66.61 -26.1 66.93 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.695 0.798 . . . . 0.0 111.573 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -30.14 66.62 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 89.9 m-20 -66.8 -43.52 83.65 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.769 175.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.443 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 4.0 mm? -58.78 -51.28 70.65 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.251 0.548 . . . . 0.0 111.008 172.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 58.8 tttm -53.19 -43.69 67.35 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.668 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 45.6 m -71.91 -31.84 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.006 0.907 . . . . 0.0 109.953 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -65.15 -35.33 80.76 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.526 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.623 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 30.6 m-85 -91.79 4.51 52.68 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.822 -1.151 . . . . 0.0 111.106 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 4.1 mmp_? -67.99 -32.94 73.69 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.073 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 m -65.6 109.55 2.42 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.634 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -31.22 67.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.386 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.79 -33.77 64.69 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.776 1.231 . . . . 0.0 111.582 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.531 ' O ' HD12 ' A' ' 71' ' ' LEU . 2.4 t60 -68.26 -56.59 8.09 Favored 'General case' 0 CA--C 1.465 -2.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.501 -177.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -70.91 -27.85 64.09 Favored 'General case' 0 N--CA 1.402 -2.849 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.646 -174.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 52.4 tttm -63.4 -37.91 89.1 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.677 169.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -65.43 -30.78 71.62 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 67' ' ' HIS . 10.1 mp -73.53 -29.77 62.67 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.074 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 69' ' ' LYS . 17.6 tppt? -65.81 -39.99 91.42 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 173.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -71.88 -27.99 63.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.049 176.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 tp -76.08 -22.44 55.6 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 123.537 0.735 . . . . 0.0 111.28 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.0 m -65.21 149.32 50.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.198 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.42 -8.1 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 122.083 0.944 . . . . 0.0 110.083 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.0 156.96 90.47 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.779 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.8 120.76 7.56 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 123.235 2.623 . . . . 0.0 110.824 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -78.9 -35.42 43.58 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.755 -170.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.2 m 72.36 -61.25 0.5 Allowed 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 125.316 1.446 . . . . 0.0 110.066 -173.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.461 ' HG2' ' OE2' ' A' ' 82' ' ' GLU . 53.5 tt0 -98.53 149.16 23.02 Favored 'General case' 0 C--N 1.272 -2.761 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 175.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.461 ' OE2' ' HG2' ' A' ' 81' ' ' GLN . 2.6 mp0 64.06 32.26 12.97 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -169.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -159.53 -50.55 0.06 Allowed 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.523 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -139.09 -48.93 0.5 Allowed 'General case' 0 CA--C 1.479 -1.753 0 CA-C-O 121.95 0.881 . . . . 0.0 112.133 -172.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.35 81.37 0.21 Allowed 'General case' 0 C--N 1.245 -3.94 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.812 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -110.84 99.58 8.47 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.11 -176.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.01 -57.61 0.91 Allowed 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 173.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.16 -35.73 0.31 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.144 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.91 -124.46 8.26 Favored Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.613 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -142.59 137.3 29.97 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -85.58 -123.17 1.29 Allowed Glycine 0 N--CA 1.441 -1.029 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.235 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -113.18 97.51 6.54 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.026 0.441 . . . . 0.0 110.989 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -87.77 82.1 7.43 Favored 'General case' 0 N--CA 1.406 -2.629 0 CA-C-O 122.43 1.11 . . . . 0.0 111.323 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.262 -3.214 0 CA-C-N 113.199 -1.819 . . . . 0.0 108.604 176.383 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 29.3 t70 . . . . . 0 C--O 1.239 0.509 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 62.0 Cg_exo -59.33 -163.96 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 124.322 3.348 . . . . 0.0 113.961 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -65.03 -2.4 2.7 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.39 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 70.75 40.83 0.95 Allowed 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 125.005 1.322 . . . . 0.0 113.487 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.64 101.59 10.73 Favored 'General case' 0 N--CA 1.401 -2.922 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -138.92 131.61 29.02 Favored 'General case' 0 C--N 1.267 -2.996 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.406 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.73 124.63 83.42 Favored Pre-proline 0 C--N 1.304 -1.374 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -80.82 -9.67 13.11 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 121.744 1.629 . . . . 0.0 114.302 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -93.6 -31.38 14.53 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.21 126.94 53.21 Favored Pre-proline 0 C--N 1.31 -1.145 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.45 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -44.59 -63.43 0.33 Allowed 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 124.078 3.185 . . . . 0.0 117.419 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.61 52.96 4.8 Favored Glycine 0 CA--C 1.485 -1.827 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.436 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.07 22.02 54.39 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.48 48.71 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.395 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.06 -4.14 14.55 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -128.87 102.4 6.52 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.614 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.515 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.91 147.9 37.82 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.204 179.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.68 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 18.2 t -96.73 116.01 28.41 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.57 -34.32 75.61 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.451 0.643 . . . . 0.0 110.571 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.26 66.86 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.661 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.1 m -109.88 -4.85 15.74 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 54.7 26.3 7.39 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.198 0.999 . . . . 0.0 111.787 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -129.35 152.82 48.49 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.321 0.581 . . . . 0.0 111.195 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 29.6 m-85 -108.2 143.19 37.35 Favored 'General case' 0 N--CA 1.408 -2.532 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.436 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 9.2 m-85 -122.12 162.23 21.64 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.6 pt -66.65 -31.24 52.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' OD2' ' HB ' ' A' ' 56' ' ' THR . 4.8 p-10 -150.44 169.82 20.55 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.551 -178.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.4 t -75.67 -25.37 56.71 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 122.985 0.514 . . . . 0.0 111.206 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.417 ' HB ' ' OD2' ' A' ' 54' ' ' ASP . 60.7 m -68.1 -35.63 78.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.12 -41.27 98.07 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.604 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' ' 52' ' ' PHE . 4.2 mm? -62.1 -53.77 50.73 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.712 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -54.25 -43.47 70.95 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.139 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -68.87 -36.37 78.02 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.55 0.69 . . . . 0.0 110.194 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -62.08 -34.62 76.64 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.937 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.68 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 36.2 m-85 -85.76 -2.74 58.52 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.141 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -66.31 -18.22 65.22 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.731 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.9 m -64.62 105.58 1.0 Allowed 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -62.16 -30.08 70.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.144 -0.935 . . . . 0.0 113.235 -176.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.9 t70 -71.36 -30.81 66.6 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-O 121.359 0.6 . . . . 0.0 109.739 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.723 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 8.9 t60 -66.3 -56.2 12.35 Favored 'General case' 0 CA--C 1.469 -2.145 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.647 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -68.46 -29.47 68.12 Favored 'General case' 0 N--CA 1.422 -1.852 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.017 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 37.5 ttmt -60.64 -47.0 88.2 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.849 170.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 9.5 tpp180 -57.69 -41.47 81.72 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.723 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 60.7 mt -68.29 -42.57 79.28 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.206 -175.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 18.2 ptmt -72.8 -28.12 62.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 73.5 mm-40 -74.35 -32.93 62.97 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.079 0.466 . . . . 0.0 110.052 174.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 63.3 mt -73.46 -18.38 61.13 Favored 'General case' 0 N--CA 1.432 -1.336 0 C-N-CA 123.916 0.886 . . . . 0.0 111.885 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.5 m -64.18 143.97 57.48 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.3 -37.35 77.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.758 0.789 . . . . 0.0 109.183 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 79' ' ' TYR . 9.1 pt-20 -89.68 112.85 54.29 Favored Pre-proline 0 N--CA 1.426 -1.654 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.399 174.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -84.45 29.61 0.54 Allowed 'Trans proline' 0 C--O 1.243 0.745 0 C-N-CA 122.833 2.355 . . . . 0.0 111.78 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.403 ' H ' ' C ' ' A' ' 77' ' ' GLU . 77.6 m-85 -145.27 88.64 1.88 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.381 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 t -116.7 83.33 1.95 Allowed 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.884 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 64.92 3.41 2.07 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 125.278 1.431 . . . . 0.0 112.356 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -102.81 -2.52 27.84 Favored 'General case' 0 C--N 1.281 -2.398 0 CA-C-O 122.049 0.928 . . . . 0.0 108.591 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -95.23 -49.07 5.64 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -143.42 92.87 2.41 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.998 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -83.55 -34.27 25.26 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.225 -0.59 . . . . 0.0 109.973 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -92.26 85.29 5.38 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.339 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.22 86.97 0.54 Allowed 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.39 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.24 77.31 0.17 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.757 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -145.92 -131.69 2.31 Favored Glycine 0 N--CA 1.433 -1.536 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.758 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 67.92 12.54 8.86 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.781 0.832 . . . . 0.0 111.448 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.85 75.01 0.7 Allowed Glycine 0 N--CA 1.424 -2.108 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 p -77.22 151.08 35.33 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.407 -0.396 . . . . 0.0 110.868 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -120.04 135.04 55.08 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.288 -2.1 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.797 -179.35 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--O 1.239 0.507 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -64.71 129.81 24.55 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.586 2.19 . . . . 0.0 112.257 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 t30 49.68 69.35 0.61 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.076 0.95 . . . . 0.0 111.261 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.86 83.6 1.09 Allowed 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.577 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -148.67 -56.63 0.21 Allowed 'General case' 0 N--CA 1.413 -2.3 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 57.82 -159.28 0.27 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.253 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -116.99 129.58 25.22 Favored Pre-proline 0 C--N 1.299 -1.618 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.77 -2.34 11.79 Favored 'Trans proline' 0 C--O 1.247 0.936 0 C-N-CA 122.382 2.055 . . . . 0.0 114.533 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -99.06 -31.81 11.59 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -110.85 113.84 54.83 Favored Pre-proline 0 N--CA 1.433 -1.278 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.08 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.79 125.85 19.36 Favored 'Trans proline' 0 C--O 1.247 0.943 0 C-N-CA 123.468 2.779 . . . . 0.0 112.032 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.35 23.45 77.93 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.549 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.31 6.95 76.91 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.6 3.51 86.84 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.729 -0.549 . . . . 0.0 111.729 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.91 -2.06 58.37 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.298 0.639 . . . . 0.0 112.037 -175.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 79.3 m-70 -134.26 103.8 5.9 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -147.12 148.37 31.52 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.94 0.876 . . . . 0.0 112.908 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.662 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 22.0 t -95.91 116.14 28.48 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 172.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.8 -34.75 78.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 123.386 0.429 . . . . 0.0 110.989 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.34 -17.79 64.97 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.137 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 75.6 m -115.87 -10.6 11.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 58.58 24.82 12.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.607 0.763 . . . . 0.0 111.525 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.6 mmt180 -118.49 151.32 38.05 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.815 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -105.43 154.02 20.9 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 123.676 0.79 . . . . 0.0 109.247 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.47 ' CD1' HD22 ' A' ' 58' ' ' LEU . 71.4 m-85 -129.23 146.96 51.03 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.86 -22.57 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -174.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.56 151.51 37.44 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.5 t -59.9 -34.75 73.61 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 123.211 0.604 . . . . 0.0 110.776 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.6 m -63.66 -37.61 88.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.738 0.304 . . . . 0.0 110.194 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -65.55 -42.09 92.29 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 121.323 0.582 . . . . 0.0 110.494 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -64.96 -50.7 65.36 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.746 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -59.37 -43.61 92.83 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.446 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.0 m -61.83 -32.77 73.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.496 0.665 . . . . 0.0 110.38 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 49.8 t60 -59.82 -28.8 67.78 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.991 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.662 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 18.9 m-85 -91.81 -25.98 18.75 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.131 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -65.58 -12.51 53.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.088 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.9 m -73.34 99.69 2.99 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 167.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -54.32 -27.12 33.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.66 -38.12 69.18 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.733 0.646 . . . . 0.0 110.979 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 2.3 t60 -67.24 -56.74 8.57 Favored 'General case' 0 CA--C 1.446 -3.048 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.716 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.594 ' O ' ' HG2' ' A' ' 72' ' ' LYS 0.269 53.9 mtmt -67.94 -27.92 67.03 Favored 'General case' 0 N--CA 1.4 -2.953 0 O-C-N 124.038 0.836 . . . . 0.0 111.464 -174.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.78 -45.09 79.57 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.026 170.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -64.5 -31.37 72.56 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.797 0.808 . . . . 0.0 109.043 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 20.1 tp -69.88 -37.6 76.09 Favored 'General case' 0 N--CA 1.399 -2.993 0 C-N-CA 125.818 1.647 . . . . 0.0 109.424 -175.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 3.5 mmmp? -71.35 -40.79 70.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.665 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -73.91 -31.06 62.91 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.786 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.436 HD21 ' O ' ' A' ' 74' ' ' LEU . 6.1 tt -75.99 -30.42 58.54 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.8 t 73.21 179.03 0.23 Allowed 'General case' 0 C--O 1.241 0.645 0 C-N-CA 124.743 1.217 . . . . 0.0 110.993 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.95 -62.3 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.74 -176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 33.7 tt0 66.88 105.19 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.493 0 O-C-N 124.397 1.06 . . . . 0.0 108.938 -172.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.576 ' O ' ' HA ' ' A' ' 83' ' ' GLU . 6.8 Cg_exo -71.8 30.55 0.25 Allowed 'Trans proline' 0 N--CA 1.483 0.907 0 C-N-CA 123.365 2.71 . . . . 0.0 116.089 -172.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -88.39 87.8 7.41 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-O 122.056 0.932 . . . . 0.0 113.126 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.2 t -132.7 112.6 12.14 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . 0.352 27.5 pt20 46.35 69.76 0.45 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.282 1.033 . . . . 0.0 113.768 -173.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 57.38 63.03 1.97 Allowed 'General case' 0 C--O 1.248 0.976 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.984 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.576 ' HA ' ' O ' ' A' ' 78' ' ' PRO . 12.1 pt-20 47.26 30.11 1.39 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.484 1.514 . . . . 0.0 114.212 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' ' 87' ' ' ALA . . . -77.64 16.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.552 0.691 . . . . 0.0 112.381 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 83' ' ' GLU . 41.1 tt0 -85.03 -51.5 6.63 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.592 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' A' ' 86' ' ' ARG . 2.5 mmp_? -98.77 5.81 47.3 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.354 0.597 . . . . 0.0 110.124 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . . . -107.02 23.67 14.04 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.059 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.04 -4.2 40.03 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.555 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.96 16.82 78.29 Favored Glycine 0 C--O 1.236 0.268 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.693 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.0 ptp -173.21 165.37 4.86 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.557 -1.645 . . . . 0.0 106.557 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.14 -112.78 0.27 Allowed Glycine 0 N--CA 1.429 -1.815 0 C-N-CA 119.5 -1.333 . . . . 0.0 112.695 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.1 m 62.56 88.86 0.09 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.054 0.942 . . . . 0.0 110.092 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -131.65 124.81 30.66 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 121.47 0.652 . . . . 0.0 111.664 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.417 -2.123 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.11 177.802 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -49.19 118.91 3.93 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 123.186 2.591 . . . . 0.0 113.208 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 47.9 81.41 0.05 OUTLIER 'General case' 0 C--O 1.248 0.991 0 CA-C-N 114.418 -1.265 . . . . 0.0 112.662 -174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.56 92.62 0.89 Allowed 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.444 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.77 -21.6 57.26 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.443 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 50.6 p90 -88.0 141.3 28.68 Favored 'General case' 0 N--CA 1.42 -1.952 0 CA-C-N 113.639 -1.619 . . . . 0.0 108.833 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' OD1' ' HB3' ' A' ' 36' ' ' ASP . 15.9 t70 -61.64 123.69 78.01 Favored Pre-proline 0 C--N 1.315 -0.892 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.59 -12.91 29.7 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.603 2.202 . . . . 0.0 113.806 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.46 ' HB3' ' OD1' ' A' ' 34' ' ' ASP . 23.5 t70 -89.75 -25.14 21.3 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.52 0.676 . . . . 0.0 109.976 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -96.98 145.95 30.47 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.465 174.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.85 111.27 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.118 1.879 . . . . 0.0 110.32 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.58 29.08 73.58 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 66.91 8.26 47.63 Favored Glycine 0 CA--C 1.5 -0.88 0 CA-C-N 115.332 -0.434 . . . . 0.0 112.462 -178.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.72 16.48 65.85 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.61 -28.33 21.97 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 121.571 0.701 . . . . 0.0 109.665 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 86.4 m-70 -98.38 92.8 5.85 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -142.9 144.79 32.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-O 122.325 1.06 . . . . 0.0 113.858 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.678 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 17.5 t -96.98 117.82 32.01 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 113.601 -1.636 . . . . 0.0 107.222 172.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.97 -35.34 80.86 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.389 0.614 . . . . 0.0 110.376 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.77 64.96 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.194 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 73.1 m -116.29 -14.78 11.05 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.29 17.17 8.01 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.987 0.915 . . . . 0.0 111.903 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 59.2 mtt180 -105.72 152.36 23.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.743 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.91 137.5 42.58 Favored 'General case' 0 N--CA 1.409 -2.519 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' CD1' HD21 ' A' ' 58' ' ' LEU . 64.1 m-85 -112.65 146.65 38.27 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.731 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.3 pt -69.9 -33.14 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.881 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.505 ' HB3' HD21 ' A' ' 57' ' ' ASN . 17.0 t70 -139.07 147.93 42.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.262 -178.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.484 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t -59.33 -33.98 71.8 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 124.089 0.956 . . . . 0.0 111.316 -178.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 m -65.1 -37.41 87.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 ' HB3' ' A' ' 54' ' ' ASP . 30.6 m-80 -65.82 -43.74 87.67 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.599 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -63.98 -48.25 77.16 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.847 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' HE3' ' OG ' ' A' ' 55' ' ' SER . 98.9 mttt -60.52 -42.23 96.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.695 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 99.1 m -60.13 -32.25 70.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 122.011 0.91 . . . . 0.0 109.746 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 73.8 t60 -62.47 -27.91 69.45 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.635 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.678 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -103.47 -7.78 20.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.347 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 60' ' ' THR . 39.5 ptt180 -67.85 -16.35 64.05 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.422 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 m -78.02 106.59 9.99 Favored 'General case' 0 N--CA 1.418 -2.069 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -58.64 -28.74 65.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.354 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.65 -36.2 64.32 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.998 0.919 . . . . 0.0 111.541 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.544 ' O ' HD11 ' A' ' 71' ' ' LEU . 3.0 t60 -66.45 -56.57 10.31 Favored 'General case' 0 CA--C 1.476 -1.887 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.474 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -70.15 -28.19 65.14 Favored 'General case' 0 C--N 1.274 -2.711 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -174.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.43 -41.77 98.69 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.055 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.597 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 23.8 tpt180 -58.31 -35.63 72.14 Favored 'General case' 0 C--O 1.205 -1.242 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.544 HD11 ' O ' ' A' ' 67' ' ' HIS . 9.2 mp -65.79 -39.39 90.93 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 123.683 0.793 . . . . 0.0 111.267 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.11 -38.59 82.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -63.34 -42.01 98.92 Favored 'General case' 0 N--CA 1.426 -1.672 0 C-N-CA 123.86 0.864 . . . . 0.0 109.366 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 72.0 mt -62.56 -33.85 75.77 Favored 'General case' 0 N--CA 1.425 -1.697 0 C-N-CA 123.451 0.701 . . . . 0.0 111.18 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.5 m -91.57 85.51 5.73 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-O 121.261 0.553 . . . . 0.0 110.566 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.3 m -87.17 -34.84 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.739 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.078 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' HB2' ' HD3' ' A' ' 78' ' ' PRO . 16.4 mp0 -51.53 -53.9 45.04 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 123.832 0.707 . . . . 0.0 112.329 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' A' ' 77' ' ' GLU . 7.6 Cg_endo -90.74 106.85 0.31 Allowed 'Trans proline' 0 N--CA 1.438 -1.769 0 C-N-CA 121.557 1.505 . . . . 0.0 110.385 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -86.06 155.44 20.82 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.747 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -103.49 156.56 17.67 Favored 'General case' 0 N--CA 1.396 -3.15 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.71 73.29 6.43 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-O 122.353 1.073 . . . . 0.0 113.288 -175.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.66 -24.49 0.93 Allowed 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.405 171.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -93.89 -24.52 17.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 170.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.81 158.22 16.45 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.49 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 71.32 98.34 0.07 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 124.873 1.269 . . . . 0.0 111.327 -176.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -131.09 147.18 52.59 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.249 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.67 -23.08 20.86 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.956 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 70.67 101.42 0.06 Allowed 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.345 1.058 . . . . 0.0 110.015 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -45.16 111.65 0.6 Allowed Glycine 0 C--O 1.238 0.38 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.057 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.25 163.21 8.62 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.4 35.52 2.4 Favored Glycine 0 N--CA 1.432 -1.589 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.5 p -88.71 141.32 28.61 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-O 121.034 0.445 . . . . 0.0 110.615 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -157.3 145.57 19.33 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.28 14.8 p . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 125.044 1.337 . . . . 0.0 113.736 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 CA--C 1.495 -1.14 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.38 161.28 20.7 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.453 2.102 . . . . 0.0 110.116 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -54.82 -20.65 9.09 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.052 0.941 . . . . 0.0 112.712 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 64.88 76.44 0.34 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.042 0.937 . . . . 0.0 112.785 171.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -76.99 -25.45 52.75 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.819 0.819 . . . . 0.0 110.259 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -81.52 151.71 27.64 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.901 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 15.4 t70 -112.93 114.91 48.79 Favored Pre-proline 0 C--N 1.303 -1.427 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 175.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.77 -10.44 27.76 Favored 'Trans proline' 0 N--CA 1.475 0.434 0 C-N-CA 122.65 2.233 . . . . 0.0 113.562 -174.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -90.74 -29.73 17.48 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 121.299 0.571 . . . . 0.0 109.885 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.6 mt -79.4 144.58 62.07 Favored Pre-proline 0 C--N 1.304 -1.404 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.865 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.22 121.54 10.23 Favored 'Trans proline' 0 C--O 1.246 0.882 0 C-N-CA 122.715 2.277 . . . . 0.0 112.06 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.39 27.29 73.73 Favored Glycine 0 C--O 1.245 0.836 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 34' ' ' ASP . . . 72.94 6.82 68.79 Favored Glycine 0 C--O 1.244 0.719 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.38 6.01 79.13 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.33 -35.45 15.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 120.828 0.347 . . . . 0.0 111.848 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 81.3 m-70 -94.36 94.32 8.21 Favored 'General case' 0 CA--C 1.478 -1.811 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -140.7 156.37 46.23 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.968 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.507 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 32.7 t -95.34 117.36 30.17 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.37 -44.39 97.25 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 123.822 0.701 . . . . 0.0 111.181 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -24.96 67.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.276 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.5 m -99.69 -16.72 18.07 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 120.488 -0.485 . . . . 0.0 112.176 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.46 21.87 10.34 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.098 0.959 . . . . 0.0 111.341 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -105.02 146.31 29.24 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -104.7 141.1 37.06 Favored 'General case' 0 N--CA 1.417 -2.106 0 O-C-N 123.894 0.746 . . . . 0.0 109.727 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.506 ' CE1' HD22 ' A' ' 58' ' ' LEU . 72.4 m-85 -121.23 146.77 46.46 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.2 pt -65.58 -23.19 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 O-C-N 123.754 0.659 . . . . 0.0 112.578 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.51 166.31 32.38 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 120.718 0.294 . . . . 0.0 110.671 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.515 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 36.4 t -72.76 -25.54 61.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.807 -177.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 m -70.61 -43.88 68.39 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.17 -45.8 86.84 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.231 0.539 . . . . 0.0 110.442 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.978 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.058 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.2 m -66.44 -31.23 71.86 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.706 0.765 . . . . 0.0 109.781 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 40.1 t60 -60.18 -28.43 67.94 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.951 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.645 ' O ' ' HD2' ' A' ' 68' ' ' LYS . 19.9 m-85 -91.92 12.98 19.86 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.563 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.85 -18.49 64.16 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.947 174.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -79.02 99.54 6.93 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -65.07 -25.31 67.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.274 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 11.6 t70 -56.96 -39.63 74.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.968 0.889 . . . . 0.0 109.444 176.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 10.2 t60 -66.59 -45.36 79.47 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.041 -178.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.645 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 27.9 mtpp -68.29 -28.71 67.42 Favored 'General case' 0 C--N 1.27 -2.882 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.619 -175.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 59.0 tttp -60.26 -45.11 94.42 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.248 170.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -62.51 -36.14 81.61 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 80.1 mt -70.89 -35.77 72.46 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.132 -177.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -66.14 -49.54 67.09 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.043 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -72.51 -19.51 61.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.832 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' O ' HD22 ' A' ' 74' ' ' LEU . 6.4 tt -57.74 -22.89 49.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.932 1.293 . . . . 0.0 111.356 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.2 m -60.16 -30.9 69.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.125 0.488 . . . . 0.0 110.527 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.1 t -108.47 -44.38 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.124 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.582 ' OE1' ' HD2' ' A' ' 78' ' ' PRO . 9.2 tp10 -78.98 111.61 21.23 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.582 ' HD2' ' OE1' ' A' ' 77' ' ' GLU . 12.8 Cg_exo -32.66 144.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.511 1 C-N-CA 126.06 4.507 . . . . 0.0 117.854 -176.05 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -92.5 166.11 12.69 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 p -78.55 76.76 5.05 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.463 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 53.0 tp60 60.48 40.68 16.8 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.724 0.774 . . . . 0.0 110.607 176.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 60.98 23.65 13.78 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.577 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 70.63 79.96 0.17 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 125.667 1.587 . . . . 0.0 107.266 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 81' ' ' GLN . . . -54.94 127.23 27.85 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.846 -175.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 56.34 81.75 0.12 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -173.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.445 ' C ' ' H ' ' A' ' 88' ' ' ALA . 30.6 ttt180 -90.06 128.43 36.29 Favored 'General case' 0 N--CA 1.408 -2.569 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.207 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.29 17.26 0.5 Allowed 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 124.648 1.179 . . . . 0.0 111.275 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 86' ' ' ARG . . . -133.92 80.97 1.89 Allowed 'General case' 0 N--CA 1.41 -2.425 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.2 109.26 2.06 Favored Glycine 0 N--CA 1.425 -2.041 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.504 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.8 ttm -122.53 123.87 42.24 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.5 -37.53 0.09 OUTLIER Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.82 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.5 p -63.86 136.32 57.29 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.266 0.555 . . . . 0.0 111.176 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -83.06 143.84 30.31 Favored 'General case' 0 N--CA 1.407 -2.588 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.344 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.295 -1.795 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 177.838 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' A' ' 30' ' ' ASN . 48.2 Cg_exo -55.36 140.05 81.94 Favored 'Trans proline' 0 C--N 1.361 1.208 0 C-N-CA 122.715 2.277 . . . . 0.0 111.261 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 29' ' ' PRO . 5.9 t30 70.55 -22.45 0.18 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.688 1.195 . . . . 0.0 113.467 -177.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.99 78.13 1.16 Allowed 'General case' 0 N--CA 1.422 -1.872 0 CA-C-O 121.845 0.831 . . . . 0.0 111.874 -176.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -118.98 -64.62 1.26 Allowed 'General case' 0 N--CA 1.41 -2.43 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 172.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 58.3 -162.35 0.22 Allowed 'General case' 0 C--O 1.242 0.678 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.034 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -79.9 132.55 60.32 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.63 -15.35 24.45 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.219 1.946 . . . . 0.0 114.061 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -87.68 -30.85 20.08 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.371 0.605 . . . . 0.0 109.445 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.68 116.41 65.39 Favored Pre-proline 0 C--N 1.307 -1.258 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.618 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.52 127.02 17.21 Favored 'Trans proline' 0 C--O 1.246 0.894 0 C-N-CA 123.059 2.506 . . . . 0.0 110.635 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.36 78.45 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 7.6 60.91 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.377 -0.411 . . . . 0.0 112.158 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.53 7.35 73.42 Favored Glycine 0 N--CA 1.439 -1.162 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.36 -24.66 29.62 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.197 0.523 . . . . 0.0 111.166 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 66.8 m-70 -108.32 93.06 4.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -174.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -128.9 145.71 51.14 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.588 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.66 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 5.4 t -97.2 118.05 32.77 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 167.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.46 -36.82 81.49 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.1 -18.12 63.94 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.197 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.5 m -109.88 -23.72 11.22 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.26 20.97 12.16 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.247 1.019 . . . . 0.0 110.987 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -115.13 168.73 9.68 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.503 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -105.56 156.74 17.95 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.424 -172.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' HD22 ' A' ' 58' ' ' LEU . 85.2 m-85 -136.52 146.93 46.78 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 pt -79.18 -15.89 13.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -136.3 152.3 50.54 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -73.87 -30.37 62.6 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 173.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 m -62.47 -37.61 86.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.99 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -68.26 -44.19 76.14 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.114 0.483 . . . . 0.0 110.637 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.2 tm? -62.21 -49.63 74.98 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -62.13 -39.43 92.52 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.2 m -66.97 -29.8 69.75 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.803 0.811 . . . . 0.0 109.29 176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.624 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 61.7 t60 -56.27 -28.13 57.58 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.606 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.66 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 10.7 m-85 -100.77 11.79 38.84 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 119.054 -1.059 . . . . 0.0 109.787 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.33 -31.17 69.43 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 m -71.78 117.11 12.95 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.556 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.71 -34.43 77.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.527 0.731 . . . . 0.0 112.663 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.78 -42.61 71.95 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.032 0.533 . . . . 0.0 112.217 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.409 ' O ' HD12 ' A' ' 71' ' ' LEU . 6.3 t60 -63.09 -55.84 21.95 Favored 'General case' 0 CA--C 1.47 -2.116 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.039 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 49.5 mtpt -64.92 -29.34 70.27 Favored 'General case' 0 C--N 1.277 -2.556 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.154 -175.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HB3' ' HZ1' ' A' ' 69' ' ' LYS . 5.6 ttpm? -60.01 -41.3 91.82 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.459 172.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -34.12 73.88 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 67' ' ' HIS . 10.3 mp -74.95 -41.68 59.16 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 68' ' ' LYS . 55.8 mtpt -62.13 -39.54 92.91 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.415 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -78.17 -22.12 49.16 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.8 tt -73.62 -42.33 61.61 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.681 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.2 m -174.28 105.91 0.11 Allowed 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -175.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.0 t -141.3 -60.74 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 169.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -134.8 144.38 50.34 Favored Pre-proline 0 C--N 1.304 -1.41 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -48.03 112.03 0.52 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.663 2.242 . . . . 0.0 111.602 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -129.15 156.73 43.44 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -173.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -147.98 179.96 7.35 Favored 'General case' 0 N--CA 1.416 -2.144 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.779 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.62 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 56.5 mt-30 -79.91 87.98 5.32 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.067 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -153.07 -63.38 0.15 Allowed 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.76 -46.31 31.56 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.62 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -97.53 105.45 17.6 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 175.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 64.67 86.66 0.12 Allowed 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 124.032 0.933 . . . . 0.0 111.863 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -65.03 -38.64 91.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.98 -62.55 0.32 Allowed 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 171.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 168.05 -52.88 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 127.124 2.17 . . . . 0.0 105.359 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.91 157.21 28.95 Favored Glycine 0 N--CA 1.419 -2.438 0 N-CA-C 107.049 -2.42 . . . . 0.0 107.049 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.96 110.76 11.92 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 118.447 1.123 . . . . 0.0 108.884 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.36 116.02 0.69 Allowed Glycine 0 N--CA 1.417 -2.609 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.2 p -80.46 91.4 5.73 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.573 0.702 . . . . 0.0 111.442 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -102.88 133.63 47.66 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.825 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.289 -2.022 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.533 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 CA--C 1.512 -0.482 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.91 -173.77 1.9 Allowed 'Trans proline' 0 CA--C 1.511 -0.661 0 C-N-CA 122.583 2.188 . . . . 0.0 111.562 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -61.18 -29.1 69.6 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-O 121.375 0.607 . . . . 0.0 109.844 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 57.47 26.96 13.29 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 125.075 1.35 . . . . 0.0 112.043 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -77.43 -40.47 43.25 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.668 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -67.71 155.13 39.95 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.078 176.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 12.4 t70 -77.62 132.52 68.54 Favored Pre-proline 0 C--N 1.309 -1.16 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -87.13 -11.49 5.28 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.076 1.851 . . . . 0.0 114.26 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -86.07 -34.08 20.79 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' HB3' ' CA ' ' A' ' 41' ' ' GLY . 3.7 mm? -88.51 145.68 35.94 Favored Pre-proline 0 C--N 1.299 -1.63 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.679 176.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.54 -79.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 123.133 2.555 . . . . 0.0 115.809 -174.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 56.29 2.62 Favored Glycine 0 CA--C 1.478 -2.238 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 34' ' ' ASP . . . 65.6 11.39 53.29 Favored Glycine 0 N--CA 1.435 -1.414 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -175.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' CA ' ' HB3' ' A' ' 37' ' ' LEU . . . 70.6 -7.77 4.81 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.491 -0.354 . . . . 0.0 113.194 -173.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.99 -30.65 24.04 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.841 0.321 . . . . 0.0 111.861 -175.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 94.3 m-70 -84.16 85.07 7.4 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -140.74 148.55 40.89 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.376 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.672 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.8 t -96.09 116.98 29.8 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.76 -34.59 78.69 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.15 -23.3 67.08 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.649 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -107.78 -19.24 13.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.06 22.57 12.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.228 0.611 . . . . 0.0 110.212 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' HA ' ' HE ' ' A' ' 50' ' ' ARG . 5.0 mmp_? -104.51 148.83 26.03 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -105.54 134.83 48.01 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.831 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CD1' HD22 ' A' ' 58' ' ' LEU . 55.4 m-85 -114.57 151.12 33.93 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.42 -31.67 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -148.2 174.84 11.57 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.299 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.579 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 32.6 t -78.06 -26.42 48.23 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.3 m -67.89 -44.88 75.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -62.67 -46.46 88.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.252 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.546 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -63.82 -47.5 80.56 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.683 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.31 -39.04 85.54 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.4 m -62.1 -33.4 74.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.132 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 68.5 t60 -62.14 -30.34 70.97 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.511 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.672 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 20.9 m-85 -95.25 -2.6 49.16 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 118.462 -1.295 . . . . 0.0 109.739 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -71.04 -17.88 62.59 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.4 m -71.24 97.5 1.56 Allowed 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 170.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -59.48 -26.37 65.2 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -175.124 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 22.8 t70 -66.6 -32.04 73.11 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.501 ' O ' HD13 ' A' ' 71' ' ' LEU . 6.7 t60 -62.44 -56.17 20.77 Favored 'General case' 0 C--O 1.197 -1.689 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.407 -177.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 50.3 mtpt -66.76 -29.39 69.33 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-O 121.269 0.557 . . . . 0.0 110.382 -175.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 66' ' ' ASP . 34.2 ttpt -69.83 -35.68 74.98 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.623 171.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -65.63 -27.7 68.58 Favored 'General case' 0 C--O 1.195 -1.77 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 67' ' ' HIS . 9.4 mp -66.48 -31.73 72.66 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 124.185 0.994 . . . . 0.0 112.236 177.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 76' ' ' VAL . 58.1 tptt -65.62 -48.99 70.38 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 173.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -65.69 -29.68 70.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.87 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.78 -26.5 68.66 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.65 1.18 . . . . 0.0 110.451 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.2 m -90.19 0.73 57.05 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.92 0.867 . . . . 0.0 110.11 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.1 t -118.75 9.36 6.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 73.3 106.56 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.361 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.927 -176.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.63 115.03 4.04 Favored 'Trans proline' 0 C--O 1.249 1.07 0 C-N-CA 122.185 1.923 . . . . 0.0 111.798 -176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -79.86 97.95 6.89 Favored 'General case' 0 N--CA 1.426 -1.674 0 CA-C-O 121.945 0.878 . . . . 0.0 112.617 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.4 t -123.79 126.02 45.73 Favored 'General case' 0 N--CA 1.406 -2.661 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . 0.34 0.5 OUTLIER 49.98 23.52 1.11 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.72 1.208 . . . . 0.0 113.31 -172.357 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 64.09 20.8 12.35 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 123.973 0.909 . . . . 0.0 111.326 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 62.11 82.49 0.17 Allowed 'General case' 0 C--O 1.252 1.214 0 CA-C-O 122.38 1.086 . . . . 0.0 109.469 -173.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -133.44 108.21 8.52 Favored 'General case' 0 N--CA 1.413 -2.294 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.686 -175.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.47 -39.85 2.97 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.718 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -104.92 98.92 8.57 Favored 'General case' 0 N--CA 1.417 -2.112 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.046 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.07 -26.31 20.33 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 60.78 21.76 11.81 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.444 -1.253 . . . . 0.0 111.491 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -83.75 78.88 1.96 Allowed Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.486 ' HE1' ' HA ' ' A' ' 90' ' ' MET . 1.0 OUTLIER -77.88 -35.29 51.02 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.64 -69.65 3.16 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.896 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -147.81 134.56 20.01 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 122.822 0.449 . . . . 0.0 110.03 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -139.01 111.16 7.36 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.552 0.691 . . . . 0.0 109.85 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 81.3 t . . . . . 0 C--N 1.266 -3.063 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.546 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.464 0.275 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.28 -172.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.981 2.454 . . . . 0.0 114.291 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.427 ' OD1' ' HB2' ' A' ' 32' ' ' GLU . 27.1 t-20 -51.07 -42.09 60.35 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.647 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 64.81 36.87 7.64 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HB2' ' OD1' ' A' ' 30' ' ' ASN . 12.0 tp10 -66.42 -27.03 67.52 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 174.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 40.8 p90 -100.06 147.68 25.38 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-N 113.401 -1.727 . . . . 0.0 109.176 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -90.06 128.29 50.31 Favored Pre-proline 0 C--N 1.308 -1.232 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -65.11 -23.82 60.09 Favored 'Trans proline' 0 C--O 1.241 0.669 0 C-N-CA 122.52 2.146 . . . . 0.0 115.319 -174.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.7 -26.72 21.67 Favored 'General case' 0 CA--C 1.502 -0.901 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.137 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.46 129.43 69.0 Favored Pre-proline 0 C--N 1.295 -1.773 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.494 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.13 124.63 16.05 Favored 'Trans proline' 0 C--O 1.244 0.782 0 C-N-CA 122.752 2.302 . . . . 0.0 111.089 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.56 18.15 79.33 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 74.2 3.43 65.27 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.763 -0.719 . . . . 0.0 111.73 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.57 7.41 79.26 Favored Glycine 0 N--CA 1.432 -1.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -173.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -90.09 -18.91 25.01 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.438 0.637 . . . . 0.0 110.113 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.556 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 74.6 m-70 -120.96 96.22 5.02 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -138.33 150.05 46.22 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.561 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.1 t -96.53 116.06 28.46 Favored 'General case' 0 C--N 1.274 -2.702 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 169.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.5 -34.11 76.45 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.066 0.46 . . . . 0.0 111.141 -174.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -22.89 65.1 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.557 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.43 -18.86 13.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 65.89 25.8 11.13 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.687 0.795 . . . . 0.0 112.104 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -104.21 149.93 24.84 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.258 0.552 . . . . 0.0 110.192 176.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -105.76 123.56 48.14 Favored 'General case' 0 N--CA 1.407 -2.58 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 29.8 m-85 -115.63 151.04 35.73 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.7 mm -60.74 -33.86 56.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -152.43 162.89 40.56 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.947 -176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.556 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 33.5 t -66.97 -23.76 65.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 110.07 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.4 m -64.65 -32.99 74.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -70.74 -40.7 72.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 52' ' ' PHE . 4.0 mm? -60.21 -53.24 60.06 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.331 174.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -54.74 -41.27 70.18 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 124.214 0.946 . . . . 0.0 110.614 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.0 m -63.3 -40.51 97.56 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.433 0.635 . . . . 0.0 110.046 174.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.83 -38.46 91.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.791 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 33.3 m-85 -86.53 14.38 6.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.058 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -70.53 -16.49 62.89 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.098 173.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.1 m -71.49 98.02 1.76 Allowed 'General case' 0 N--CA 1.411 -2.393 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.53 -34.3 75.63 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.915 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.45 -31.93 69.76 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.846 0.831 . . . . 0.0 109.756 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.448 ' O ' HD12 ' A' ' 71' ' ' LEU . 52.4 t60 -69.06 -54.96 12.32 Favored 'General case' 0 CA--C 1.488 -1.421 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.612 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 27.4 mtpp -62.78 -32.74 73.96 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.75 -179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 81.2 tttt -59.47 -49.29 78.36 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.775 173.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 27.0 tpt180 -60.32 -38.41 83.61 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 121.415 0.626 . . . . 0.0 109.809 -177.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 67' ' ' HIS . 11.2 mp -72.26 -34.03 67.93 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.299 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -74.01 -26.99 60.74 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.474 0.654 . . . . 0.0 109.989 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 28.0 mm-40 -70.85 -30.83 67.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.619 0.723 . . . . 0.0 109.271 174.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 86.9 mt -77.13 -32.43 56.43 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.785 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.8 p -140.87 102.6 4.31 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.486 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.71 -73.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 123.597 0.561 . . . . 0.0 111.185 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -120.58 113.51 33.4 Favored Pre-proline 0 N--CA 1.434 -1.235 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 173.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -95.1 40.92 0.15 Allowed 'Trans proline' 0 C--O 1.239 0.557 0 C-N-CA 123.283 2.655 . . . . 0.0 111.638 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 72.41 100.49 0.07 Allowed 'General case' 0 CA--C 1.487 -1.476 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.186 -171.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.1 t -99.26 162.08 13.25 Favored 'General case' 0 N--CA 1.383 -3.782 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -81.77 72.49 8.82 Favored 'General case' 0 C--N 1.276 -2.587 0 CA-C-O 122.418 1.104 . . . . 0.0 110.485 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -148.86 -45.57 0.15 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.56 -72.42 0.14 Allowed 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 168.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 46.32 -165.0 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.117 1.367 . . . . 0.0 114.008 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -98.67 -21.9 16.19 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 67.66 20.46 9.57 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.842 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.96 84.5 1.22 Allowed 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.02 -6.6 2.36 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.508 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.31 39.85 0.66 Allowed Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.648 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -112.08 124.75 53.08 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -153.71 49.26 0.51 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.727 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.9 m -93.98 127.09 39.57 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 122.824 -0.221 . . . . 0.0 110.411 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 t80 65.64 137.74 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.86 1.264 . . . . 0.0 113.576 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.307 -1.269 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.267 178.024 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.579 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 5.1 m-20 . . . . . 0 CA--C 1.551 1.015 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 28' ' ' ASP . 7.6 Cg_endo -54.1 132.61 51.1 Favored 'Trans proline' 0 C--N 1.393 2.908 0 CA-C-N 122.881 2.065 . . . . 0.0 111.155 175.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.447 ' HB3' ' O ' ' A' ' 29' ' ' PRO . 3.8 t-20 71.03 -31.89 0.23 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 125.483 1.513 . . . . 0.0 112.539 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.87 78.42 1.19 Allowed 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -72.98 -76.95 0.11 Allowed 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.032 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 54.67 -160.25 0.16 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.922 0.889 . . . . 0.0 109.629 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 12.3 t70 -111.09 130.94 22.46 Favored Pre-proline 0 C--N 1.306 -1.3 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 175.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 34' ' ' ASP . 4.9 Cg_endo -85.74 2.26 7.69 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 121.655 1.57 . . . . 0.0 115.236 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -106.65 -32.43 8.02 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.89 134.2 19.95 Favored Pre-proline 0 CA--C 1.498 -1.036 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -58.0 103.32 0.14 Allowed 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.247 1.965 . . . . 0.0 112.337 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.57 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 68.41 20.33 73.44 Favored Glycine 0 CA--C 1.494 -1.267 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.752 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.82 11.8 63.61 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 72.61 8.89 73.11 Favored Glycine 0 N--CA 1.433 -1.549 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.99 -15.76 43.16 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.088 0.555 . . . . 0.0 111.707 -175.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 84.9 m-70 -122.43 101.02 7.25 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -144.05 156.26 44.31 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 121.64 0.733 . . . . 0.0 112.084 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.559 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 15.4 t -95.57 119.13 33.53 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.56 -37.52 86.49 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.226 0.536 . . . . 0.0 110.581 -177.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.49 64.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.016 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.18 -15.01 11.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.43 13.95 5.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.487 1.115 . . . . 0.0 112.11 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -104.64 152.47 22.42 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.485 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 55.5 m-85 -104.45 150.36 24.62 Favored 'General case' 0 N--CA 1.414 -2.265 0 O-C-N 123.825 0.703 . . . . 0.0 109.364 -174.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.483 ' CE1' HD21 ' A' ' 58' ' ' LEU . 68.4 m-85 -128.87 146.63 50.89 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.57 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -61.64 -37.45 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.477 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -140.53 154.89 46.72 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.454 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 29.8 t -61.12 -28.73 69.31 Favored 'General case' 0 C--O 1.206 -1.206 0 O-C-N 123.39 0.431 . . . . 0.0 111.09 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.7 m -62.39 -38.15 88.53 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.18 0.514 . . . . 0.0 110.226 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -71.56 -38.1 71.0 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.581 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -67.66 -48.22 67.26 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.125 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.83 -43.5 77.06 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 123.994 0.918 . . . . 0.0 111.407 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.9 m -62.78 -30.22 71.29 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.52 0.676 . . . . 0.0 110.437 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.581 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 45.9 t60 -61.03 -30.82 70.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.473 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.9 m-85 -90.58 12.56 18.43 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 118.101 -1.44 . . . . 0.0 110.543 -178.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.33 10.87 9.46 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 122.127 0.965 . . . . 0.0 110.617 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 t -97.07 109.69 22.39 Favored 'General case' 0 N--CA 1.412 -2.336 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -61.0 -42.25 98.1 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.1 -31.87 65.72 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 121.649 0.738 . . . . 0.0 111.422 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.528 ' O ' HD12 ' A' ' 71' ' ' LEU . 5.3 t60 -66.98 -56.45 10.11 Favored 'General case' 0 CA--C 1.479 -1.768 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.431 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -67.43 -28.57 68.01 Favored 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.238 -176.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.06 -45.57 92.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.54 171.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -60.44 -33.78 73.04 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 121.833 0.825 . . . . 0.0 109.393 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 67' ' ' HIS . 10.1 mp -72.09 -35.43 69.21 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.371 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -65.32 -41.32 94.11 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.248 0.546 . . . . 0.0 109.831 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -75.31 -21.3 58.55 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.727 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.15 -18.12 65.15 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.909 0.884 . . . . 0.0 111.681 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -54.31 160.17 1.74 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.625 0.77 . . . . 0.0 112.267 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.27 -36.66 75.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.459 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.7 130.7 46.57 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.308 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.49 150.64 52.06 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.618 2.212 . . . . 0.0 112.064 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -129.3 122.78 30.29 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.5 t -143.72 156.78 44.64 Favored 'General case' 0 N--CA 1.409 -2.481 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.584 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 64.5 tt0 -75.13 102.49 4.94 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.521 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -175.94 -59.46 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -94.3 -39.31 10.57 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.592 -1.186 . . . . 0.0 108.442 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.584 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -102.2 144.45 30.72 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 63.35 25.38 14.61 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -75.9 96.46 3.73 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.95 88.25 0.82 Allowed 'General case' 0 N--CA 1.421 -1.925 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.906 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.74 -21.11 48.5 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.294 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.17 -175.57 20.58 Favored Glycine 0 N--CA 1.432 -1.618 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.87 93.9 1.7 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.73 -24.88 2.72 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.546 -177.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.2 p -75.76 82.61 2.72 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.524 0.678 . . . . 0.0 111.98 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -168.77 101.18 0.39 Allowed 'General case' 0 CA--C 1.484 -1.56 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.543 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.257 -3.437 0 CA-C-N 114.122 -1.399 . . . . 0.0 110.56 -179.477 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.486 -1.518 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.0 178.82 7.17 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 122.063 1.842 . . . . 0.0 110.614 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -66.36 -25.67 66.91 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 72.45 60.43 0.12 Allowed 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.48 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 1.2 mp0 -63.45 -36.27 83.18 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.007 -1.452 . . . . 0.0 108.805 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 46.5 p90 -72.58 149.47 43.96 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 114.126 -1.397 . . . . 0.0 112.398 -177.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -139.24 133.39 16.09 Favored Pre-proline 0 C--N 1.306 -1.326 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.34 -16.82 56.19 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.012 2.475 . . . . 0.0 114.485 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.57 -28.18 23.47 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.0 mt -76.41 141.75 70.22 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.26 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.68 118.83 5.74 Favored 'Trans proline' 0 C--O 1.245 0.854 0 C-N-CA 122.443 2.095 . . . . 0.0 110.966 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.34 32.72 84.57 Favored Glycine 0 CA--C 1.499 -0.955 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 33' ' ' PHE . . . 69.99 1.11 31.14 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.382 -0.409 . . . . 0.0 112.326 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.34 88.62 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.98 -26.49 27.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.212 0.529 . . . . 0.0 111.394 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -102.64 95.21 6.07 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 147.83 45.3 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.551 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 9.9 t -95.52 117.66 30.81 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.923 -1.49 . . . . 0.0 107.268 173.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.87 -34.36 75.87 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.334 0.396 . . . . 0.0 111.671 -176.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.38 -17.73 64.3 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.856 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.6 m -115.31 -18.64 11.02 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.5 20.21 9.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.994 0.918 . . . . 0.0 109.979 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -104.83 143.22 33.43 Favored 'General case' 0 CA--C 1.482 -1.638 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.771 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -104.72 140.87 37.43 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.427 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CD1' HD22 ' A' ' 58' ' ' LEU . 79.2 m-85 -118.58 147.02 44.14 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.515 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -59.04 -32.18 47.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 124.339 1.056 . . . . 0.0 112.733 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -151.46 154.42 36.56 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 35.2 t -58.33 -31.85 67.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 123.373 0.669 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.6 m -64.06 -39.44 94.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -39.22 86.73 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 120.794 0.331 . . . . 0.0 110.655 177.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.594 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -64.88 -51.8 60.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.292 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 55' ' ' SER . 17.9 ptpt -63.36 -34.93 78.78 Favored 'General case' 0 C--N 1.298 -1.63 0 CA-C-O 120.892 0.377 . . . . 0.0 111.828 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -68.24 -30.29 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.884 0.849 . . . . 0.0 110.049 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.594 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 50.5 t60 -59.33 -29.08 67.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.629 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.551 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 23.5 m-85 -89.72 1.91 55.48 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.831 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -75.02 -10.7 59.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.471 0.653 . . . . 0.0 110.397 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 114.72 11.11 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.848 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.465 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.708 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 15.8 t70 -54.57 -38.02 66.19 Favored 'General case' 0 C--O 1.202 -1.435 0 C-N-CA 123.294 0.638 . . . . 0.0 111.467 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.628 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 1.9 t60 -65.6 -54.36 28.86 Favored 'General case' 0 CA--C 1.465 -2.294 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.502 -176.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HA ' ' HG ' ' A' ' 71' ' ' LEU . 46.0 mtmt -72.95 -27.58 61.92 Favored 'General case' 0 N--CA 1.395 -3.189 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.043 -174.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -65.1 -41.12 95.26 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.203 168.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 66' ' ' ASP . 2.3 tpt180 -65.27 -27.52 68.7 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -177.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 81.1 mt -71.62 -37.97 70.85 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.946 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -68.25 -28.08 66.9 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.197 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -77.52 -38.08 49.61 Favored 'General case' 0 N--CA 1.408 -2.55 0 C-N-CA 123.923 0.889 . . . . 0.0 110.59 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.5 tp -76.5 -27.05 55.91 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.503 0.668 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 t -121.76 -159.98 0.84 Allowed 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.8 t -109.81 -59.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -130.11 97.96 22.14 Favored Pre-proline 0 N--CA 1.432 -1.365 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.092 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -91.36 26.58 0.45 Allowed 'Trans proline' 0 CA--C 1.517 -0.354 0 C-N-CA 122.734 2.289 . . . . 0.0 111.742 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -87.19 121.3 29.46 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.8 m -108.87 -175.46 2.77 Favored 'General case' 0 N--CA 1.404 -2.739 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -94.91 13.49 24.69 Favored 'General case' 0 C--N 1.282 -2.362 0 CA-C-O 122.556 1.17 . . . . 0.0 109.3 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -79.75 -20.27 46.72 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.652 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -120.46 25.38 9.82 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.072 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.94 179.99 7.98 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.612 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -133.23 -52.49 0.89 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.947 0.403 . . . . 0.0 111.446 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 62.36 73.08 0.48 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.084 -170.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -176.12 -57.11 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 114.036 -1.438 . . . . 0.0 107.465 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 57.67 82.49 0.13 Allowed 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.314 -1.312 . . . . 0.0 113.24 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.31 -77.14 1.73 Allowed Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.452 -0.794 . . . . 0.0 113.654 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 24.6 mmt 69.46 155.09 0.13 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.28 1.032 . . . . 0.0 111.855 -175.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.75 53.65 0.66 Allowed Glycine 0 C--N 1.303 -1.285 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.7 m -82.31 103.73 12.1 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 t80 70.71 144.26 0.06 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.952 1.301 . . . . 0.0 112.53 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.309 13.4 p . . . . . 0 C--O 1.255 1.353 0 C-N-CA 126.024 1.73 . . . . 0.0 114.471 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 C--O 1.236 0.344 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -62.84 122.24 10.46 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.141 1.894 . . . . 0.0 112.68 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 t30 67.01 -42.74 0.43 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.333 1.853 . . . . 0.0 113.494 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.15 78.27 5.22 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.721 0.772 . . . . 0.0 112.485 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -77.98 -73.91 0.29 Allowed 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 114.418 -1.264 . . . . 0.0 107.673 173.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 51.52 -166.97 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.716 1.206 . . . . 0.0 112.839 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -67.59 128.57 93.56 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.95 -9.73 25.12 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.688 2.259 . . . . 0.0 114.791 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -104.44 -23.93 13.11 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.281 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 57.5 mt -80.67 125.24 80.95 Favored Pre-proline 0 C--N 1.299 -1.609 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.264 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 24.0 Cg_exo -66.48 118.42 5.51 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.571 2.181 . . . . 0.0 110.611 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.93 26.52 71.35 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.397 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.56 11.41 72.46 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.598 -0.301 . . . . 0.0 112.564 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.57 10.39 86.27 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.022 -0.608 . . . . 0.0 111.905 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.4 mt -90.24 -33.91 15.98 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-O 121.219 0.533 . . . . 0.0 111.197 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 70.6 m-70 -96.99 91.71 5.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -174.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.407 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.1 ptt180 -144.24 145.39 32.02 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.611 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.589 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 30.0 t -96.05 116.37 28.85 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 174.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.49 -40.12 95.69 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.387 0.43 . . . . 0.0 111.771 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.45 64.09 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.788 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.3 m -111.24 -13.28 14.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.11 19.71 7.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.708 0.803 . . . . 0.0 110.933 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -105.32 146.92 28.72 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.06 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.407 ' CE2' ' HD3' ' A' ' 44' ' ' ARG . 96.6 m-85 -105.8 143.52 33.82 Favored 'General case' 0 N--CA 1.398 -3.037 0 CA-C-N 114.272 -1.331 . . . . 0.0 108.783 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.467 ' CD1' HD22 ' A' ' 58' ' ' LEU . 67.9 m-85 -126.28 144.46 50.79 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.57 -21.81 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -148.25 153.88 39.32 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.992 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 36.9 t -63.2 -29.85 71.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 122.752 0.421 . . . . 0.0 111.034 -178.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.9 m -65.56 -38.3 89.19 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -66.36 -41.74 89.03 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 121.125 0.488 . . . . 0.0 110.853 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -66.25 -49.37 67.4 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.173 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.58 -35.89 77.97 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.1 m -63.12 -30.87 71.94 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.635 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 58.0 t60 -60.81 -28.77 69.04 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.686 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 16.4 m-85 -93.57 -8.53 40.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.58 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -68.98 -11.58 60.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.366 0.603 . . . . 0.0 111.168 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.8 m -75.02 105.31 5.98 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.4 -39.82 67.63 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.86 0.864 . . . . 0.0 112.067 -175.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.98 -33.19 62.29 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 123.797 0.839 . . . . 0.0 111.869 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.545 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 3.0 t60 -69.54 -49.06 57.92 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.782 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.5 mtpt -74.11 -29.37 61.8 Favored 'General case' 0 C--N 1.26 -3.308 0 C-N-CA 119.829 -0.749 . . . . 0.0 109.996 -174.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.61 -49.5 76.23 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.839 165.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.613 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 4.1 tpp180 -58.31 -35.15 71.42 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 124.473 1.109 . . . . 0.0 109.096 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt -64.08 -36.1 82.92 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.36 0.664 . . . . 0.0 111.432 -177.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.419 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -78.23 -27.81 47.74 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.742 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 79.1 mt -70.7 -19.72 62.73 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.69 0.396 . . . . 0.0 111.03 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.5 m -68.84 -34.49 75.57 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.5 t -82.18 -46.79 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 60.07 82.8 0.22 Allowed Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.087 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -99.11 46.7 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 123.778 2.986 . . . . 0.0 109.486 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.5 t80 74.62 120.15 0.05 OUTLIER 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.933 -172.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.1 m -121.67 118.11 28.34 Favored 'General case' 0 N--CA 1.398 -3.045 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -80.33 0.41 33.06 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 122.453 1.121 . . . . 0.0 109.862 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.9 -11.14 42.73 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 113.752 -1.567 . . . . 0.0 108.899 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -92.6 -37.43 12.46 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.12 -154.54 0.04 OUTLIER 'General case' 0 C--O 1.249 1.041 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.543 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 85.72 92.32 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 125.618 1.567 . . . . 0.0 111.781 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' N ' ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -57.32 118.48 5.16 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.111 174.33 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.79 -67.27 0.86 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 64.54 90.69 0.08 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.564 0.745 . . . . 0.0 109.391 -175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.52 27.81 2.5 Favored Glycine 0 C--N 1.295 -1.74 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.103 -176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.36 154.65 41.37 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.48 -127.92 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.556 -0.354 . . . . 0.0 113.592 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.9 p 49.67 43.47 24.35 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.695 0.76 . . . . 0.0 111.018 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.24 130.44 46.21 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.89 -176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.295 -1.8 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.201 176.551 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 . . . . . 0 CA--C 1.499 -0.989 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.57 162.94 7.53 Favored 'Trans proline' 0 C--O 1.247 0.971 0 C-N-CA 122.434 2.089 . . . . 0.0 112.18 176.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -64.19 -24.33 67.64 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 124.302 1.041 . . . . 0.0 111.017 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 59.0 74.91 0.42 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.627 1.171 . . . . 0.0 113.578 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -81.45 -22.8 37.9 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 47.8 p90 -91.98 160.54 15.2 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 113.139 -1.846 . . . . 0.0 107.713 175.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 10.1 t70 -84.59 125.6 71.02 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -80.91 -7.23 13.31 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.173 1.915 . . . . 0.0 114.591 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -92.3 -32.55 14.97 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.558 0.694 . . . . 0.0 109.244 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -91.38 121.15 67.97 Favored Pre-proline 0 C--N 1.3 -1.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' O ' ' HB3' ' A' ' 51' ' ' TYR . 39.7 Cg_exo -56.44 124.47 16.34 Favored 'Trans proline' 0 C--O 1.241 0.631 0 C-N-CA 122.689 2.26 . . . . 0.0 113.133 -177.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 73.85 22.39 78.18 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.891 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 70.42 5.52 55.33 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.234 -0.483 . . . . 0.0 112.674 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.93 13.88 69.97 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.85 -35.17 11.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 122.765 0.426 . . . . 0.0 110.801 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 78.0 m-70 -102.29 90.38 3.89 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -176.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.13 148.73 45.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.752 0.787 . . . . 0.0 111.581 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.68 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 9.3 t -96.48 117.05 30.1 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 170.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.47 -34.14 77.59 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.396 0.435 . . . . 0.0 110.669 -175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.23 72.36 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.017 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -96.04 -23.35 16.85 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 28.56 18.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.935 0.874 . . . . 0.0 109.545 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.37 154.6 24.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.997 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 38' ' ' PRO . 54.8 m-85 -104.71 129.3 52.93 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.441 -177.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.478 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 75.9 m-85 -113.46 141.64 46.87 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.422 HD11 ' H ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -65.09 -40.36 88.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.906 -176.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.522 ' HB3' HD21 ' A' ' 57' ' ' ASN . 12.4 t70 -135.81 149.16 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.154 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -59.13 -34.36 71.95 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 123.771 0.669 . . . . 0.0 111.904 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.3 m -63.07 -35.77 81.35 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.525 0.679 . . . . 0.0 109.887 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.522 HD21 ' HB3' ' A' ' 54' ' ' ASP . 34.5 m-80 -68.12 -42.3 80.41 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.066 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.546 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.5 tm? -66.58 -47.34 73.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.717 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.519 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 8.8 mmpt? -58.24 -44.05 88.09 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.24 175.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.7 m -62.88 -33.57 75.56 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.588 0.709 . . . . 0.0 110.199 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 70.9 t60 -59.14 -29.24 67.27 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.487 -1.233 . . . . 0.0 113.198 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.68 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -97.42 4.74 50.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 117.477 -1.689 . . . . 0.0 110.703 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -78.73 -0.97 32.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -89.62 111.16 22.03 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -65.95 -25.76 67.27 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.787 -178.057 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.513 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.6 m-20 -64.04 -31.65 72.91 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 123.191 0.596 . . . . 0.0 111.362 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.533 ' O ' HD13 ' A' ' 71' ' ' LEU . 2.8 t60 -66.32 -55.28 16.74 Favored 'General case' 0 CA--C 1.478 -1.79 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.367 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -68.3 -28.89 67.58 Favored 'General case' 0 C--N 1.271 -2.835 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.192 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 34.4 ttpt -60.9 -43.82 98.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.943 169.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -34.58 76.92 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 67' ' ' HIS . 9.6 mp -69.13 -40.21 78.43 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.465 0.706 . . . . 0.0 110.861 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -60.37 -43.2 96.81 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.325 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -70.05 -40.9 74.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.646 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 74' ' ' LEU . 5.8 tt -60.4 -32.45 71.34 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 123.569 0.748 . . . . 0.0 109.445 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.1 m 76.52 178.37 0.17 Allowed 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.671 1.189 . . . . 0.0 110.777 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -61.85 -54.38 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -156.43 99.23 2.1 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 120.985 0.422 . . . . 0.0 109.991 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.405 ' HG3' ' O ' ' A' ' 74' ' ' LEU . 12.6 Cg_endo -99.52 -157.45 0.04 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.483 0 C-N-CA 123.262 2.642 . . . . 0.0 110.751 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -83.34 162.84 20.95 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.013 174.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.1 t -145.43 149.74 35.26 Favored 'General case' 0 N--CA 1.396 -3.127 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -81.58 76.61 8.5 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-O 122.607 1.194 . . . . 0.0 109.515 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -143.77 -53.66 0.35 Allowed 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 104.317 -2.475 . . . . 0.0 104.317 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -63.12 -61.58 2.28 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.86 -165.34 0.1 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 124.448 1.092 . . . . 0.0 112.777 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -137.41 76.69 1.6 Allowed 'General case' 0 N--CA 1.41 -2.464 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -90.13 105.13 17.6 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.635 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -146.22 80.6 1.57 Allowed 'General case' 0 N--CA 1.432 -1.341 0 CA-C-O 121.702 0.763 . . . . 0.0 109.965 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.46 84.97 1.31 Allowed 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.245 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.14 164.27 37.46 Favored Glycine 0 N--CA 1.423 -2.228 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.46 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -112.84 24.9 11.93 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.35 36.6 6.17 Favored Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 106.614 -2.594 . . . . 0.0 106.614 -170.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m -71.74 121.12 18.35 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 113.679 -1.261 . . . . 0.0 111.671 -173.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -147.44 135.74 21.59 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.296 -1.734 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.762 -177.596 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 CA--C 1.493 -1.216 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -60.96 153.95 60.03 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.76 1.64 . . . . 0.0 109.972 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -64.32 -47.34 79.79 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 62.77 77.85 0.31 Allowed 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.498 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.82 -24.1 41.59 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 122.515 1.15 . . . . 0.0 107.991 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.414 ' O ' ' HD3' ' A' ' 35' ' ' PRO . 38.4 p90 -94.31 174.26 7.23 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 113.865 -1.516 . . . . 0.0 109.387 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -98.01 106.93 37.77 Favored Pre-proline 0 C--N 1.317 -0.826 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 33' ' ' PHE . 32.5 Cg_exo -60.21 -17.15 44.54 Favored 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.237 2.625 . . . . 0.0 115.084 -177.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.69 -39.68 57.07 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.325 0.583 . . . . 0.0 109.561 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.55 140.81 75.63 Favored Pre-proline 0 C--N 1.3 -1.569 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.213 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.24 120.12 7.83 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.639 2.226 . . . . 0.0 111.167 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.12 73.44 Favored Glycine 0 N--CA 1.436 -1.32 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.378 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.27 0.97 67.91 Favored Glycine 0 N--CA 1.433 -1.564 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.76 -2.07 86.91 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -176.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -90.69 -37.07 13.97 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-O 121.131 0.491 . . . . 0.0 110.936 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 89.0 m-70 -89.16 86.43 6.87 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.52 0.676 . . . . 0.0 110.097 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -134.92 155.63 50.38 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.557 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.512 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 38.1 t -97.06 116.93 30.14 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.0 -39.18 90.06 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.225 0.536 . . . . 0.0 109.731 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -17.8 62.42 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.289 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -116.96 -10.46 10.95 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.2 17.42 6.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.716 0.806 . . . . 0.0 111.237 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -104.91 142.47 34.7 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -105.08 137.11 43.36 Favored 'General case' 0 N--CA 1.411 -2.375 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.431 ' CD1' HD22 ' A' ' 58' ' ' LEU . 72.4 m-85 -115.58 144.32 44.06 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -62.9 -25.34 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.522 ' HB3' HD21 ' A' ' 57' ' ' ASN . 25.3 t70 -145.7 151.63 38.32 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.628 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 30.5 p -57.14 -33.19 67.14 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 111.484 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -66.63 -33.24 75.21 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.522 HD21 ' HB3' ' A' ' 54' ' ' ASP . 39.2 m-80 -69.3 -42.04 75.97 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-O 121.415 0.626 . . . . 0.0 109.473 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -62.59 -50.51 71.01 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.688 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.73 -43.17 94.33 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.192 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -64.62 -31.57 72.85 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.334 0.588 . . . . 0.0 110.051 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 27.3 t60 -58.85 -30.11 67.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.029 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.522 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 24.7 m-85 -85.16 3.74 37.69 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.476 -1.29 . . . . 0.0 111.038 -178.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -67.7 -7.74 29.55 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.459 0.647 . . . . 0.0 111.002 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -72.16 97.62 1.98 Allowed 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 169.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -65.29 -25.8 67.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.471 -177.272 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 16.5 t70 -66.48 -34.69 78.48 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.864 0.84 . . . . 0.0 109.113 176.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.567 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 17.6 t60 -72.86 -47.73 43.59 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.293 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 51.8 mtmt -68.72 -28.55 66.93 Favored 'General case' 0 C--N 1.285 -2.213 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.483 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 53.5 tptt -56.78 -50.45 72.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 166.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 8.9 mmm180 -53.75 -36.51 62.4 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.294 1.038 . . . . 0.0 111.601 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 67' ' ' HIS . 11.1 mp -74.65 -37.53 62.72 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.146 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.71 -48.24 81.67 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.44 -32.82 74.6 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.639 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.97 -38.34 90.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.324 0.583 . . . . 0.0 109.679 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.7 m -84.22 -11.69 56.06 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.932 -176.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -106.6 -49.7 8.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.192 0.52 . . . . 0.0 110.799 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.29 130.49 25.82 Favored Pre-proline 0 C--N 1.306 -1.304 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.538 -175.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -72.37 157.92 52.38 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 121.809 1.673 . . . . 0.0 109.215 171.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.99 167.79 12.51 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 120.934 0.397 . . . . 0.0 110.869 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.7 p -81.39 -59.77 2.51 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.598 0.713 . . . . 0.0 110.625 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -135.33 48.52 2.24 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.315 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 63.86 16.24 9.68 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.004 0.922 . . . . 0.0 109.55 -176.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 40.8 tt0 66.67 17.18 10.56 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.536 1.16 . . . . 0.0 108.651 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.71 81.7 5.93 Favored 'General case' 0 N--CA 1.427 -1.584 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.23 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -98.7 5.61 47.53 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 122.318 1.056 . . . . 0.0 108.493 174.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -136.62 95.51 3.16 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-N 114.118 -1.401 . . . . 0.0 108.23 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.32 -77.47 0.47 Allowed 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.07 88.71 0.08 Allowed 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 124.241 1.017 . . . . 0.0 108.501 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -124.74 -98.5 1.22 Allowed Glycine 0 N--CA 1.426 -2.006 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.0 ttm -150.72 116.61 5.55 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.38 -72.29 0.02 OUTLIER Glycine 0 C--N 1.293 -1.84 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.2 m -93.59 132.9 37.46 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.417 ' CD2' HG12 ' A' ' 94' ' ' VAL . 49.2 p90 -92.65 167.71 11.72 Favored 'General case' 0 N--CA 1.405 -2.676 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.417 HG12 ' CD2' ' A' ' 93' ' ' TYR 0.32 11.5 p . . . . . 0 C--O 1.255 1.384 0 C-N-CA 125.385 1.474 . . . . 0.0 114.325 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -54.48 123.04 12.65 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 122.165 1.91 . . . . 0.0 113.005 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.8 t30 55.66 21.39 4.54 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 125.374 1.47 . . . . 0.0 111.574 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -142.24 87.75 2.05 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.091 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -86.58 128.2 34.97 Favored 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.996 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 31' ' ' ALA . 52.1 m-85 -136.84 174.9 10.12 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.732 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -128.98 130.72 23.45 Favored Pre-proline 0 C--N 1.302 -1.459 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 177.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.0 -12.2 33.49 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.263 1.976 . . . . 0.0 115.146 -175.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -96.68 -28.22 14.42 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.978 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.58 121.95 63.68 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.166 -178.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.03 124.18 13.95 Favored 'Trans proline' 0 C--O 1.245 0.857 0 C-N-CA 122.718 2.279 . . . . 0.0 111.089 177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.86 20.3 75.93 Favored Glycine 0 CA--C 1.501 -0.792 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.6 15.05 59.01 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 -177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 75.75 5.27 78.7 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.205 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.7 -8.32 54.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.003 0.43 . . . . 0.0 111.825 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -128.46 99.62 5.46 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.0 ptt180 -143.85 151.77 40.31 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-O 122.043 0.925 . . . . 0.0 113.089 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.629 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.5 t -96.4 117.14 30.26 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -42.24 98.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 123.749 0.82 . . . . 0.0 111.061 -175.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.253 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 100.0 m -96.95 -14.04 21.99 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.861 -0.736 . . . . 0.0 112.11 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.47 15.77 4.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.376 1.07 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 41.3 mmt180 -104.81 148.11 26.99 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.445 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 78.1 m-85 -104.23 141.16 36.77 Favored 'General case' 0 N--CA 1.397 -3.09 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.532 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 5.6 m-85 -121.76 152.94 38.91 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.6 pt -60.48 -33.55 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.09 160.26 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.84 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -65.04 -27.44 68.8 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.691 0.796 . . . . 0.0 111.578 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.3 p -60.32 -44.51 95.39 Favored 'General case' 0 N--CA 1.414 -2.232 0 CA-C-O 121.601 0.715 . . . . 0.0 110.027 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -60.3 -43.34 96.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.653 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.532 ' CD2' ' HB2' ' A' ' 52' ' ' PHE . 3.6 mm? -61.92 -54.46 41.65 Favored 'General case' 0 CA--C 1.479 -1.765 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.63 -36.2 78.05 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.915 -177.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.5 m -71.82 -34.0 68.97 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.71 0.767 . . . . 0.0 109.689 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.35 -37.52 87.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.134 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 39.5 m-85 -83.53 6.43 20.46 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.507 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -71.56 -6.16 38.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.219 0.533 . . . . 0.0 111.148 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -75.65 106.44 7.21 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.98 -37.99 84.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.008 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.88 -37.5 79.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.895 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.598 ' O ' ' HB3' ' A' ' 70' ' ' ARG . 11.3 t60 -70.74 -45.4 64.93 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.119 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 46.0 mtmt -71.64 -28.15 63.58 Favored 'General case' 0 C--N 1.268 -2.958 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.663 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.08 -44.55 96.42 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 168.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.598 ' HB3' ' O ' ' A' ' 67' ' ' HIS . 28.0 tpt180 -53.97 -33.94 58.39 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.537 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt -68.39 -38.0 80.92 Favored 'General case' 0 N--CA 1.427 -1.606 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.109 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -73.33 -30.76 63.56 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 120.871 0.367 . . . . 0.0 110.107 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -70.04 -45.4 67.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.942 175.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.8 tp -71.66 -18.61 62.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.105 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m 79.14 101.06 0.06 Allowed 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.449 1.499 . . . . 0.0 113.329 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.06 -33.2 46.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.553 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 70.74 108.68 0.03 OUTLIER Pre-proline 0 C--O 1.235 0.298 0 O-C-N 124.437 1.085 . . . . 0.0 110.771 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.83 117.27 4.27 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 121.972 1.781 . . . . 0.0 109.891 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -57.01 144.64 33.32 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.288 0.566 . . . . 0.0 112.222 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.5 m -140.88 100.43 3.83 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.969 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.525 ' HG2' ' H ' ' A' ' 82' ' ' GLU . 54.4 tt0 64.13 -178.22 0.16 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.057 0.943 . . . . 0.0 108.913 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.525 ' H ' ' HG2' ' A' ' 81' ' ' GLN . 9.3 tp10 73.42 -57.8 0.62 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.558 1.543 . . . . 0.0 110.117 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.6 -32.56 20.56 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.317 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -129.66 95.5 4.0 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -102.84 -1.12 30.27 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.736 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -65.65 142.89 57.89 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.726 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.05 -49.65 6.46 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.02 -63.91 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.973 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.88 77.47 0.25 Allowed Glycine 0 C--N 1.299 -1.479 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.176 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.2 ttt -69.97 115.29 9.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.088 0.471 . . . . 0.0 111.493 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.96 -71.26 1.14 Allowed Glycine 0 N--CA 1.433 -1.562 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.7 m 53.98 75.06 0.29 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.78 0.832 . . . . 0.0 110.821 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -106.71 174.21 5.99 Favored 'General case' 0 N--CA 1.418 -2.051 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.425 -173.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.44 -0.944 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.33 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.09 168.4 0.12 Allowed 'Trans proline' 0 C--N 1.367 1.549 0 C-N-CA 123.629 2.886 . . . . 0.0 113.12 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.22 74.9 7.03 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-O 122.638 1.209 . . . . 0.0 109.413 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.25 62.56 0.69 Allowed 'General case' 0 C--N 1.277 -2.544 0 CA-C-N 113.022 -1.899 . . . . 0.0 108.772 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -73.02 -21.52 60.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 113.905 -1.498 . . . . 0.0 108.741 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -100.26 178.92 4.63 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 113.857 -1.519 . . . . 0.0 108.855 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -134.81 143.41 46.2 Favored Pre-proline 0 C--N 1.299 -1.598 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.56 -22.27 18.43 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.088 1.859 . . . . 0.0 114.989 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.07 -23.87 14.41 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.85 0.833 . . . . 0.0 109.729 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.83 110.11 52.23 Favored Pre-proline 0 C--N 1.296 -1.726 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.013 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.66 126.32 21.46 Favored 'Trans proline' 0 C--N 1.331 -0.372 0 C-N-CA 123.519 2.813 . . . . 0.0 111.704 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.33 -2.52 66.13 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.405 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.34 9.23 53.84 Favored Glycine 0 N--CA 1.438 -1.185 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.21 25.52 36.66 Favored Glycine 0 N--CA 1.431 -1.669 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -119.25 -165.68 1.17 Allowed 'General case' 1 N--CA 1.36 -4.944 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 39.66 66.64 0.55 Allowed 'General case' 0 C--N 1.281 -2.376 0 C-N-CA 126.123 1.769 . . . . 0.0 110.633 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -126.9 144.94 50.85 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.081 0.943 . . . . 0.0 113.379 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.47 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 26.5 t -94.82 117.37 30.02 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.02 -33.94 76.89 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.116 0.484 . . . . 0.0 110.697 -176.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.76 65.05 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.854 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.87 -14.45 10.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.77 14.99 5.51 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.332 1.053 . . . . 0.0 112.336 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 151.43 24.88 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -104.21 145.18 30.58 Favored 'General case' 0 N--CA 1.407 -2.608 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CE1' HD23 ' A' ' 58' ' ' LEU . 61.7 m-85 -120.78 146.02 46.95 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 pt -71.47 -26.83 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.842 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -140.11 153.05 46.59 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.335 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -63.14 -31.32 72.43 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.559 0.744 . . . . 0.0 110.422 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.9 m -61.89 -42.64 99.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -66.86 -41.95 86.5 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 123.662 0.785 . . . . 0.0 110.818 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -65.73 -48.74 70.91 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.729 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.19 -42.96 92.1 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.8 m -62.1 -30.05 70.74 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.769 0.795 . . . . 0.0 110.32 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.646 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 41.6 t60 -60.5 -29.9 69.37 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.177 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.47 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.8 m-85 -91.09 8.99 32.79 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.409 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.29 -12.7 61.26 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.058 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 m -78.81 99.39 6.69 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -64.37 -25.46 68.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -175.292 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.0 t70 -61.36 -32.3 72.2 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 122.131 0.967 . . . . 0.0 109.876 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.648 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.2 t60 -68.05 -50.81 52.9 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.491 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -69.9 -28.92 66.01 Favored 'General case' 0 C--N 1.279 -2.463 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.433 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 83.5 tttt -61.58 -43.72 98.34 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.344 170.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -67.38 -29.52 69.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.407 0.622 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 77.9 mt -73.95 -46.13 46.0 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.817 -178.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 77' ' ' GLU . 19.5 ptpt -59.46 -48.62 80.94 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.429 -178.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -71.58 -21.56 61.85 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 123.421 0.451 . . . . 0.0 111.537 -175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.4 tp -75.07 -42.42 56.87 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.639 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.2 m -174.4 -37.11 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -173.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.0 t -57.97 -39.95 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 37.3 tt0 -154.01 86.52 3.77 Favored Pre-proline 0 C--N 1.306 -1.306 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.656 -177.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -69.43 124.38 11.16 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 123.019 2.48 . . . . 0.0 109.934 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.554 ' OH ' ' HA ' ' A' ' 82' ' ' GLU . 72.8 t80 65.74 107.7 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.975 0.893 . . . . 0.0 108.608 -174.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 t -106.96 107.49 18.54 Favored 'General case' 0 C--N 1.274 -2.717 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.332 -169.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.482 ' HG3' ' HB1' ' A' ' 84' ' ' ALA 0.374 26.7 pt20 35.97 72.58 0.1 Allowed 'General case' 0 C--O 1.24 0.586 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 176.18 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.554 ' HA ' ' OH ' ' A' ' 79' ' ' TYR . 31.1 tt0 56.55 29.56 15.71 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.706 1.202 . . . . 0.0 110.385 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 70.12 86.43 0.13 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.016 1.326 . . . . 0.0 109.723 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.482 ' HB1' ' HG3' ' A' ' 81' ' ' GLN . . . -82.17 173.69 11.89 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 113.631 -1.622 . . . . 0.0 111.768 -174.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 65.11 22.35 12.29 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -113.37 116.67 30.03 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.89 89.15 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.704 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 58.38 80.65 0.17 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.158 0.911 . . . . 0.0 111.755 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.46 -102.65 0.3 Allowed Glycine 0 N--CA 1.436 -1.323 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.977 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 tpt 64.37 96.32 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.918 0.887 . . . . 0.0 111.166 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.85 -3.24 20.16 Favored Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.316 -0.945 . . . . 0.0 113.482 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.9 p -80.78 102.29 9.88 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 121.048 0.452 . . . . 0.0 111.263 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -152.79 134.33 14.47 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.532 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.294 -1.824 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.239 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 C--O 1.241 0.633 0 N-CA-C 111.04 -0.408 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 76.37 21.54 75.15 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.18 7.93 60.89 Favored Glycine 0 CA--C 1.493 -1.307 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.926 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.05 10.93 78.7 Favored Glycine 0 N--CA 1.437 -1.27 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -95.02 -10.87 29.6 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 123.211 0.604 . . . . 0.0 112.46 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.64 99.46 6.18 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -129.25 148.14 51.15 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.354 0.597 . . . . 0.0 110.893 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.583 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 19.2 t -97.27 115.81 28.32 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 163.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.8 -36.8 84.54 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 120.915 0.388 . . . . 0.0 111.233 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -17.86 65.0 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.741 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 78.8 m -114.19 -12.76 12.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.43 24.02 9.71 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.632 0.73 . . . . 0.0 110.557 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 99.5 mtt180 -105.42 143.52 33.47 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.907 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.61 128.3 53.54 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.498 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 76.1 m-85 -111.86 146.0 38.48 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 pt -61.89 -29.98 47.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -149.06 156.01 41.59 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -61.65 -32.77 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.561 0.538 . . . . 0.0 110.637 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.5 m -64.05 -40.14 95.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -68.2 -37.15 80.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.253 0.549 . . . . 0.0 111.227 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -67.55 -50.46 58.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.263 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.19 -34.27 77.71 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.5 m -64.32 -30.26 71.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.881 0.848 . . . . 0.0 109.703 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.535 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 33.7 t60 -63.69 -28.78 70.13 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.554 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 22.4 m-85 -85.65 6.71 26.27 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 118.478 -1.289 . . . . 0.0 110.62 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -75.06 3.41 8.53 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.841 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 m -85.08 104.75 15.27 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -59.48 -30.88 68.85 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.548 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 16.5 t70 -71.33 -30.48 66.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.742 0.782 . . . . 0.0 110.722 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -64.55 -52.72 56.21 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt . . . . . 0 C--N 1.29 -2.009 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.331 -175.603 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--O 1.241 0.664 0 CA-C-O 121.038 0.349 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.93 20.86 72.99 Favored Glycine 0 CA--C 1.505 -0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.94 7.85 60.0 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 -177.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 76.95 3.52 80.99 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.885 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.4 -9.2 58.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.238 0.615 . . . . 0.0 111.656 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -127.36 99.3 5.58 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.8 ptt180 -145.81 151.35 37.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.771 0.796 . . . . 0.0 112.956 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.505 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 23.5 t -97.05 117.74 31.9 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 113.98 -1.464 . . . . 0.0 107.114 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.0 -36.88 85.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.991 0.424 . . . . 0.0 111.114 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.05 67.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.192 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.86 -14.59 14.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 64.1 12.46 7.02 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.401 1.08 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -106.14 154.52 20.56 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 85.8 m-85 -105.14 145.85 30.0 Favored 'General case' 0 N--CA 1.406 -2.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.483 ' CD1' HD23 ' A' ' 58' ' ' LEU . 76.9 m-85 -120.08 153.5 36.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 pt -63.44 -39.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.09 177.77 8.71 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.195 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -70.57 -31.78 68.93 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -64.17 -47.11 81.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.253 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -63.22 -40.21 96.81 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.484 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.586 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -63.13 -50.49 70.24 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.809 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.03 -34.79 78.32 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -61.36 -30.3 70.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.994 0.902 . . . . 0.0 109.488 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.586 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 34.5 t60 -65.47 -28.89 69.54 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.565 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 22.8 m-85 -91.06 14.03 15.16 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.243 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 3.6 mmp_? -75.9 2.57 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -91.35 108.98 20.25 Favored 'General case' 0 N--CA 1.42 -1.927 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -58.58 -35.59 72.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.542 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.95 -30.07 71.04 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.123 0.969 . . . . 0.0 112.052 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.76 -56.09 6.41 Favored 'General case' 0 CA--C 1.478 -1.822 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.79 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.1 mtpt . . . . . 0 C--N 1.287 -2.134 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.789 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 C--O 1.252 1.199 0 CA-C-O 121.127 0.386 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 69.58 30.63 70.83 Favored Glycine 0 CA--C 1.502 -0.771 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.245 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.87 7.33 58.82 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.631 -0.285 . . . . 0.0 113.027 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.67 9.43 86.28 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.098 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.38 -12.82 22.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -126.72 100.78 6.34 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.083 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.504 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.09 147.22 38.19 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.39 0.614 . . . . 0.0 112.345 178.036 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.442 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.9 t -97.04 116.19 28.8 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 169.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.78 -32.64 74.06 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.362 0.601 . . . . 0.0 110.931 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.65 -18.32 65.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.63 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 74.1 m -117.95 -11.24 10.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.12 7.2 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.95 0.9 . . . . 0.0 111.097 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.2 mmt180 -105.79 143.81 33.41 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.418 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.504 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 44.2 m-85 -105.24 142.98 34.05 Favored 'General case' 0 N--CA 1.406 -2.663 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.175 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CE1' HD23 ' A' ' 58' ' ' LEU . 70.4 m-85 -121.36 149.65 42.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.123 -176.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -62.34 -29.75 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -148.65 157.61 43.57 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -62.4 -32.15 72.93 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 123.355 0.409 . . . . 0.0 110.686 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.7 m -66.07 -36.71 83.93 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.782 0.325 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -69.77 -39.15 76.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 121.237 0.541 . . . . 0.0 110.419 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.611 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.1 tm? -64.57 -49.24 71.97 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.089 176.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.75 -37.45 79.04 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.916 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' ' 63' ' ' ARG . 90.8 m -63.51 -29.78 71.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.227 1.013 . . . . 0.0 110.342 176.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.611 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 25.1 t60 -62.99 -28.64 70.24 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.906 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 21.7 m-85 -89.09 15.9 8.0 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.826 -178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 60' ' ' THR . 6.5 mpt_? -67.79 -11.03 57.64 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.551 171.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 p -72.94 107.1 5.13 Favored 'General case' 0 N--CA 1.422 -1.845 0 C-N-CA 124.096 0.958 . . . . 0.0 109.642 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.611 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -33.05 73.09 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.622 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.611 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.6 t70 -72.7 -31.36 64.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-O 121.43 0.633 . . . . 0.0 109.711 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.11 -51.3 64.61 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.695 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 48.3 mtmt . . . . . 0 C--N 1.281 -2.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.662 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.814 -0.495 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.44 30.66 76.95 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.61 6.45 55.09 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 111.749 -0.541 . . . . 0.0 111.749 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.48 12.78 77.39 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.35 -23.81 19.12 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-O 121.017 0.437 . . . . 0.0 110.949 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.567 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 79.9 m-70 -110.14 96.54 6.29 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -142.85 161.12 38.95 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 121.609 0.719 . . . . 0.0 112.213 -178.694 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.608 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 31.8 t -95.23 116.53 28.88 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.94 -38.64 82.99 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 123.521 0.513 . . . . 0.0 111.224 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.48 -27.35 66.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.929 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.6 m -101.69 -15.34 17.03 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 63.22 11.42 5.33 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.482 1.113 . . . . 0.0 112.122 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 79.4 mtp180 -105.35 149.09 26.38 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.146 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -104.69 145.82 29.8 Favored 'General case' 0 N--CA 1.405 -2.682 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.962 -173.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD1' HD23 ' A' ' 58' ' ' LEU . 76.2 m-85 -124.77 146.13 49.37 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -58.38 -27.99 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -149.94 153.84 37.28 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.567 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 40.7 t -58.32 -33.95 70.07 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.158 0.583 . . . . 0.0 111.233 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -37.2 85.88 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.947 0.403 . . . . 0.0 110.094 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -66.84 -41.61 87.14 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -62.11 -50.34 72.3 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.666 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 55' ' ' SER . 68.0 mttm -57.21 -39.67 75.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.594 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.9 m -63.24 -30.34 71.5 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.693 0.758 . . . . 0.0 110.489 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.541 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 29.0 t60 -62.61 -28.59 70.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.602 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.608 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 24.0 m-85 -91.1 13.44 16.9 Favored 'General case' 0 C--O 1.206 -1.207 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.032 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -67.89 -11.53 58.88 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.62 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -78.87 103.46 8.83 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.344 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -33.87 76.69 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.36 -31.69 72.37 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.053 0.93 . . . . 0.0 109.894 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -71.95 -49.71 35.17 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 29.1 mtpp . . . . . 0 C--N 1.283 -2.294 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.945 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo . . . . . 0 C--O 1.241 0.636 0 CA-C-O 120.793 0.247 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 71.04 21.11 78.31 Favored Glycine 0 CA--C 1.497 -1.062 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.917 178.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.79 18.28 72.17 Favored Glycine 0 N--CA 1.437 -1.272 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.47 -2.28 31.0 Favored Glycine 0 N--CA 1.442 -0.916 0 O-C-N 123.938 0.434 . . . . 0.0 112.595 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.04 0.71 34.62 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 76.8 m-70 -135.13 102.67 5.27 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -142.85 152.19 41.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.222 0.534 . . . . 0.0 112.228 178.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.506 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.7 t -96.03 119.3 34.27 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.72 -30.97 70.59 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.257 0.551 . . . . 0.0 111.09 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -16.49 63.84 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.391 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.0 m -117.24 -26.41 6.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 68.71 14.06 8.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.213 1.005 . . . . 0.0 112.099 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -105.45 153.74 21.29 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -105.28 152.65 22.64 Favored 'General case' 0 N--CA 1.414 -2.261 0 C-N-CA 123.696 0.799 . . . . 0.0 110.278 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CE1' HD23 ' A' ' 58' ' ' LEU . 64.1 m-85 -127.49 145.92 50.68 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.207 -178.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.419 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 28.5 pt -63.27 -29.54 47.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -146.95 154.2 40.98 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.9 t -61.08 -31.6 71.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.531 0.519 . . . . 0.0 111.012 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.5 m -61.36 -43.17 99.32 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.79 -46.24 90.41 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.364 0.665 . . . . 0.0 110.38 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.634 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -60.06 -49.19 78.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.67 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -63.04 -38.91 93.07 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.556 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -65.03 -31.0 72.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.833 0.825 . . . . 0.0 109.618 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.634 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 37.5 t60 -56.74 -28.41 61.06 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.221 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.524 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 16.9 m-85 -92.59 7.34 43.75 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.104 -1.039 . . . . 0.0 111.091 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 5.4 mmp_? -64.23 -24.88 67.83 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.006 0.431 . . . . 0.0 110.865 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.9 m -73.58 101.99 3.75 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -63.63 -25.61 68.3 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.148 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.48 -35.42 63.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.8 0.84 . . . . 0.0 111.007 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.42 -56.83 8.05 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.034 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 52.2 mtmt . . . . . 0 C--N 1.281 -2.397 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.569 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo . . . . . 0 C--O 1.241 0.63 0 N-CA-C 110.92 -0.454 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.68 27.83 73.03 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.07 7.56 59.86 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.04 83.38 Favored Glycine 0 N--CA 1.438 -1.198 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -85.77 -24.28 26.92 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.799 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.472 ' HB3' HD23 ' A' ' 58' ' ' LEU . 60.7 m-70 -109.5 96.48 6.31 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -176.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -139.63 150.12 44.58 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-O 121.965 0.888 . . . . 0.0 111.998 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.619 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 12.2 t -96.63 116.89 29.86 Favored 'General case' 0 C--N 1.272 -2.785 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 170.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.58 -36.58 84.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.28 65.23 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.963 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 95.2 m -112.72 -16.01 12.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.79 18.53 7.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.422 0.689 . . . . 0.0 110.713 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 94.9 mtt180 -105.93 141.97 36.43 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.083 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 90.7 m-85 -105.51 138.39 41.79 Favored 'General case' 0 N--CA 1.398 -3.046 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 24.8 m-85 -122.51 154.54 37.72 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -70.15 -21.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 57' ' ' ASN . 30.2 t70 -148.68 153.25 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.838 -177.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.0 t -66.61 -26.1 66.93 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.695 0.798 . . . . 0.0 111.573 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -30.14 66.62 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 89.9 m-20 -66.8 -43.52 83.65 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.769 175.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.0 mm? -58.78 -51.28 70.65 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.251 0.548 . . . . 0.0 111.008 172.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 58.8 tttm -53.19 -43.69 67.35 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.668 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.427 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 45.6 m -71.91 -31.84 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.006 0.907 . . . . 0.0 109.953 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -65.15 -35.33 80.76 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.526 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.619 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 30.6 m-85 -91.79 4.51 52.68 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.822 -1.151 . . . . 0.0 111.106 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 4.1 mmp_? -67.99 -32.94 73.69 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.073 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 m -65.6 109.55 2.42 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.634 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -58.34 -31.22 67.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.386 -178.208 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.79 -33.77 64.69 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.776 1.231 . . . . 0.0 111.582 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -68.26 -56.59 8.09 Favored 'General case' 0 CA--C 1.465 -2.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.501 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 48.0 mtmt . . . . . 0 N--CA 1.402 -2.849 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.646 -174.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo . . . . . 0 N--CA 1.479 0.649 0 N-CA-C 117.419 2.046 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.61 52.96 4.8 Favored Glycine 0 CA--C 1.485 -1.827 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.436 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.07 22.02 54.39 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.48 48.71 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.395 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.06 -4.14 14.55 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.444 ' HB3' HD23 ' A' ' 58' ' ' LEU . 77.4 m-70 -128.87 102.4 6.52 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.614 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.91 147.9 37.82 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.204 179.719 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.687 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 18.2 t -96.73 116.01 28.41 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.57 -34.32 75.61 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.451 0.643 . . . . 0.0 110.571 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.26 66.86 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.661 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.1 m -109.88 -4.85 15.74 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 54.7 26.3 7.39 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.198 0.999 . . . . 0.0 111.787 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -129.35 152.82 48.49 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.321 0.581 . . . . 0.0 111.195 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.525 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 29.6 m-85 -108.2 143.19 37.35 Favored 'General case' 0 N--CA 1.408 -2.532 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.436 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 9.2 m-85 -122.12 162.23 21.64 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.6 pt -66.65 -31.24 52.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -177.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -150.44 169.82 20.55 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.551 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.4 t -75.67 -25.37 56.71 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 122.985 0.514 . . . . 0.0 111.206 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -68.1 -35.63 78.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.12 -41.27 98.07 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.604 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.2 mm? -62.1 -53.77 50.73 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.712 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -54.25 -43.47 70.95 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.139 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -68.87 -36.37 78.02 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.55 0.69 . . . . 0.0 110.194 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -62.08 -34.62 76.64 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.937 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.687 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 36.2 m-85 -85.76 -2.74 58.52 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.141 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -66.31 -18.22 65.22 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.731 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.9 m -64.62 105.58 1.0 Allowed 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -62.16 -30.08 70.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.144 -0.935 . . . . 0.0 113.235 -176.563 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.545 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.9 t70 -71.36 -30.81 66.6 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-O 121.359 0.6 . . . . 0.0 109.739 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -66.3 -56.2 12.35 Favored 'General case' 0 CA--C 1.469 -2.145 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.647 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 47.4 mtmt . . . . . 0 N--CA 1.422 -1.852 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.017 -176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--O 1.247 0.943 0 CA-C-O 121.044 0.352 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.35 23.45 77.93 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.549 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.31 6.95 76.91 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.6 3.51 86.84 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.729 -0.549 . . . . 0.0 111.729 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.91 -2.06 58.37 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.298 0.639 . . . . 0.0 112.037 -175.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 79.3 m-70 -134.26 103.8 5.9 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -147.12 148.37 31.52 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.94 0.876 . . . . 0.0 112.908 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.655 ' HG ' ' HE1' ' A' ' 62' ' ' PHE . 22.0 t -95.91 116.14 28.48 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 172.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.8 -34.75 78.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 123.386 0.429 . . . . 0.0 110.989 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.34 -17.79 64.97 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.137 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 75.6 m -115.87 -10.6 11.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 58.58 24.82 12.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.607 0.763 . . . . 0.0 111.525 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.6 mmt180 -118.49 151.32 38.05 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.815 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -105.43 154.02 20.9 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 123.676 0.79 . . . . 0.0 109.247 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.464 ' CD1' HD23 ' A' ' 58' ' ' LEU . 71.4 m-85 -129.23 146.96 51.03 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.86 -22.57 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -174.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.56 151.51 37.44 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.486 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.5 t -59.9 -34.75 73.61 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 123.211 0.604 . . . . 0.0 110.776 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.6 m -63.66 -37.61 88.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.738 0.304 . . . . 0.0 110.194 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -65.55 -42.09 92.29 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 121.323 0.582 . . . . 0.0 110.494 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -64.96 -50.7 65.36 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.746 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 55' ' ' SER . 75.2 mmtt -59.37 -43.61 92.83 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.446 177.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.0 m -61.83 -32.77 73.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.496 0.665 . . . . 0.0 110.38 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 49.8 t60 -59.82 -28.8 67.78 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.991 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.696 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 18.9 m-85 -91.81 -25.98 18.75 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.131 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -65.58 -12.51 53.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.088 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.9 m -73.34 99.69 2.99 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 167.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -54.32 -27.12 33.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.66 -38.12 69.18 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.733 0.646 . . . . 0.0 110.979 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -67.24 -56.74 8.57 Favored 'General case' 0 CA--C 1.446 -3.048 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.716 -176.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.696 ' HD3' ' HB3' ' A' ' 62' ' ' PHE 0.269 53.9 mtmt . . . . . 0 N--CA 1.4 -2.953 0 O-C-N 124.038 0.836 . . . . 0.0 111.464 -174.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo . . . . . 0 C--O 1.239 0.553 0 N-CA-C 110.32 -0.685 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.58 29.08 73.58 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.91 8.26 47.63 Favored Glycine 0 CA--C 1.5 -0.88 0 CA-C-N 115.332 -0.434 . . . . 0.0 112.462 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.72 16.48 65.85 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.61 -28.33 21.97 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 121.571 0.701 . . . . 0.0 109.665 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 86.4 m-70 -98.38 92.8 5.85 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -142.9 144.79 32.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-O 122.325 1.06 . . . . 0.0 113.858 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.674 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 17.5 t -96.98 117.82 32.01 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 113.601 -1.636 . . . . 0.0 107.222 172.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.97 -35.34 80.86 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.389 0.614 . . . . 0.0 110.376 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.77 64.96 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.194 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 73.1 m -116.29 -14.78 11.05 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.29 17.17 8.01 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.987 0.915 . . . . 0.0 111.903 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 59.2 mtt180 -105.72 152.36 23.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.743 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.91 137.5 42.58 Favored 'General case' 0 N--CA 1.409 -2.519 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CD1' HD23 ' A' ' 58' ' ' LEU . 64.1 m-85 -112.65 146.65 38.27 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.731 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.3 pt -69.9 -33.14 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.881 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -139.07 147.93 42.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.262 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t -59.33 -33.98 71.8 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 124.089 0.956 . . . . 0.0 111.316 -178.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 m -65.1 -37.41 87.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -65.82 -43.74 87.67 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.599 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -63.98 -48.25 77.16 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.847 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HE3' ' OG ' ' A' ' 55' ' ' SER . 98.9 mttt -60.52 -42.23 96.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.695 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 99.1 m -60.13 -32.25 70.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 122.011 0.91 . . . . 0.0 109.746 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.587 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 73.8 t60 -62.47 -27.91 69.45 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.635 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.674 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -103.47 -7.78 20.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.347 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 60' ' ' THR . 39.5 ptt180 -67.85 -16.35 64.05 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.422 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 m -78.02 106.59 9.99 Favored 'General case' 0 N--CA 1.418 -2.069 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -58.64 -28.74 65.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.354 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.65 -36.2 64.32 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.998 0.919 . . . . 0.0 111.541 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -66.45 -56.57 10.31 Favored 'General case' 0 CA--C 1.476 -1.887 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.474 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 49.5 mtmt . . . . . 0 C--N 1.274 -2.711 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.246 0.882 0 CA-C-O 121.004 0.335 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.39 27.29 73.73 Favored Glycine 0 C--O 1.245 0.836 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.94 6.82 68.79 Favored Glycine 0 C--O 1.244 0.719 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.38 6.01 79.13 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.33 -35.45 15.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 120.828 0.347 . . . . 0.0 111.848 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 81.3 m-70 -94.36 94.32 8.21 Favored 'General case' 0 CA--C 1.478 -1.811 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -140.7 156.37 46.23 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.968 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.504 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 32.7 t -95.34 117.36 30.17 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.37 -44.39 97.25 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 123.822 0.701 . . . . 0.0 111.181 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -24.96 67.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.276 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.5 m -99.69 -16.72 18.07 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 120.488 -0.485 . . . . 0.0 112.176 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.46 21.87 10.34 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.098 0.959 . . . . 0.0 111.341 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -105.02 146.31 29.24 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -104.7 141.1 37.06 Favored 'General case' 0 N--CA 1.417 -2.106 0 O-C-N 123.894 0.746 . . . . 0.0 109.727 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' HD23 ' A' ' 58' ' ' LEU . 72.4 m-85 -121.23 146.77 46.46 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.2 pt -65.58 -23.19 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 O-C-N 123.754 0.659 . . . . 0.0 112.578 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.51 166.31 32.38 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 120.718 0.294 . . . . 0.0 110.671 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.53 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 36.4 t -72.76 -25.54 61.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.807 -177.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 m -70.61 -43.88 68.39 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.17 -45.8 86.84 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.231 0.539 . . . . 0.0 110.442 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.978 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.058 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.2 m -66.44 -31.23 71.86 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.706 0.765 . . . . 0.0 109.781 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.557 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 40.1 t60 -60.18 -28.43 67.94 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.951 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.663 ' O ' ' HD2' ' A' ' 68' ' ' LYS . 19.9 m-85 -91.92 12.98 19.86 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.563 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.85 -18.49 64.16 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.947 174.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -79.02 99.54 6.93 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -65.07 -25.31 67.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.274 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.96 -39.63 74.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.968 0.889 . . . . 0.0 109.444 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -66.59 -45.36 79.47 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.041 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 27.9 mtpp . . . . . 0 C--N 1.27 -2.882 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.619 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 C--O 1.246 0.894 0 N-CA-C 110.635 -0.564 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.36 78.45 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 7.6 60.91 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.377 -0.411 . . . . 0.0 112.158 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.409 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 73.53 7.35 73.42 Favored Glycine 0 N--CA 1.439 -1.162 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.36 -24.66 29.62 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.197 0.523 . . . . 0.0 111.166 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 66.8 m-70 -108.32 93.06 4.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -174.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -128.9 145.71 51.14 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.588 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.719 ' HG ' ' HE1' ' A' ' 62' ' ' PHE . 5.4 t -97.2 118.05 32.77 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 167.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.46 -36.82 81.49 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.1 -18.12 63.94 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.197 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.5 m -109.88 -23.72 11.22 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.26 20.97 12.16 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.247 1.019 . . . . 0.0 110.987 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -115.13 168.73 9.68 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.503 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.409 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 98.4 m-85 -105.56 156.74 17.95 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.424 -172.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE1' HD23 ' A' ' 58' ' ' LEU . 85.2 m-85 -136.52 146.93 46.78 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 pt -79.18 -15.89 13.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -136.3 152.3 50.54 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -73.87 -30.37 62.6 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 173.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 m -62.47 -37.61 86.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.99 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -68.26 -44.19 76.14 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.114 0.483 . . . . 0.0 110.637 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.632 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.2 tm? -62.21 -49.63 74.98 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -62.13 -39.43 92.52 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.2 m -66.97 -29.8 69.75 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.803 0.811 . . . . 0.0 109.29 176.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 61.7 t60 -56.27 -28.13 57.58 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.606 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.719 ' HE1' ' HG ' ' A' ' 45' ' ' CYS . 10.7 m-85 -100.77 11.79 38.84 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 119.054 -1.059 . . . . 0.0 109.787 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.33 -31.17 69.43 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 m -71.78 117.11 12.95 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.556 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.71 -34.43 77.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.527 0.731 . . . . 0.0 112.663 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.78 -42.61 71.95 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.032 0.533 . . . . 0.0 112.217 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -63.09 -55.84 21.95 Favored 'General case' 0 CA--C 1.47 -2.116 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.039 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt . . . . . 0 C--N 1.277 -2.556 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.154 -175.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.477 0.545 0 N-CA-C 115.809 1.427 . . . . 0.0 115.809 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 56.29 2.62 Favored Glycine 0 CA--C 1.478 -2.238 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.6 11.39 53.29 Favored Glycine 0 N--CA 1.435 -1.414 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -175.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.6 -7.77 4.81 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.491 -0.354 . . . . 0.0 113.194 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.99 -30.65 24.04 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.841 0.321 . . . . 0.0 111.861 -175.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 55' ' ' SER . 43.6 m80 -84.16 85.07 7.4 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -140.74 148.55 40.89 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.376 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.655 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.8 t -96.09 116.98 29.8 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.76 -34.59 78.69 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.15 -23.3 67.08 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.649 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -107.78 -19.24 13.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.06 22.57 12.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.228 0.611 . . . . 0.0 110.212 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HA ' ' HE ' ' A' ' 50' ' ' ARG . 5.0 mmp_? -104.51 148.83 26.03 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -105.54 134.83 48.01 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.831 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.493 ' CD1' HD23 ' A' ' 58' ' ' LEU . 55.4 m-85 -114.57 151.12 33.93 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.42 -31.67 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -148.2 174.84 11.57 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.299 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.42 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 32.6 t -78.06 -26.42 48.23 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.3 m -67.89 -44.88 75.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -62.67 -46.46 88.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.252 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -63.82 -47.5 80.56 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.683 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.31 -39.04 85.54 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.4 m -62.1 -33.4 74.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.132 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 68.5 t60 -62.14 -30.34 70.97 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.511 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.655 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 20.9 m-85 -95.25 -2.6 49.16 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 118.462 -1.295 . . . . 0.0 109.739 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -71.04 -17.88 62.59 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.4 m -71.24 97.5 1.56 Allowed 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 170.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.598 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -59.48 -26.37 65.2 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -175.124 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.6 -32.04 73.11 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -62.44 -56.17 20.77 Favored 'General case' 0 C--O 1.197 -1.689 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.407 -177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.588 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 50.3 mtpt . . . . . 0 C--N 1.278 -2.541 0 CA-C-O 121.269 0.557 . . . . 0.0 110.382 -175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 C--O 1.244 0.782 0 N-CA-C 111.089 -0.389 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.56 18.15 79.33 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.2 3.43 65.27 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.763 -0.719 . . . . 0.0 111.73 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.57 7.41 79.26 Favored Glycine 0 N--CA 1.432 -1.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -173.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -90.09 -18.91 25.01 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.438 0.637 . . . . 0.0 110.113 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.538 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 74.6 m-70 -120.96 96.22 5.02 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -138.33 150.05 46.22 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.562 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.1 t -96.53 116.06 28.46 Favored 'General case' 0 C--N 1.274 -2.702 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 169.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.5 -34.11 76.45 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.066 0.46 . . . . 0.0 111.141 -174.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -22.89 65.1 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.557 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.43 -18.86 13.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 65.89 25.8 11.13 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.687 0.795 . . . . 0.0 112.104 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -104.21 149.93 24.84 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.258 0.552 . . . . 0.0 110.192 176.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -105.76 123.56 48.14 Favored 'General case' 0 N--CA 1.407 -2.58 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.492 ' HB2' HD22 ' A' ' 58' ' ' LEU . 29.8 m-85 -115.63 151.04 35.73 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.7 mm -60.74 -33.86 56.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -152.43 162.89 40.56 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.947 -176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.538 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 33.5 t -66.97 -23.76 65.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 110.07 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.4 m -64.65 -32.99 74.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -70.74 -40.7 72.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.0 mm? -60.21 -53.24 60.06 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.331 174.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -54.74 -41.27 70.18 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 124.214 0.946 . . . . 0.0 110.614 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.431 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 86.0 m -63.3 -40.51 97.56 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.433 0.635 . . . . 0.0 110.046 174.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.83 -38.46 91.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.791 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.645 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 33.3 m-85 -86.53 14.38 6.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.058 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 14.6 mmm180 -70.53 -16.49 62.89 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.098 173.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.1 m -71.49 98.02 1.76 Allowed 'General case' 0 N--CA 1.411 -2.393 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.53 -34.3 75.63 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.915 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.45 -31.93 69.76 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.846 0.831 . . . . 0.0 109.756 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -69.06 -54.96 12.32 Favored 'General case' 0 CA--C 1.488 -1.421 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.612 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.645 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 27.4 mtpp . . . . . 0 C--N 1.302 -1.477 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.75 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 C--O 1.239 0.563 0 CA-C-O 121.226 0.428 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.578 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 68.41 20.33 73.44 Favored Glycine 0 CA--C 1.494 -1.267 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.752 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.82 11.8 63.61 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.509 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 72.61 8.89 73.11 Favored Glycine 0 N--CA 1.433 -1.549 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.99 -15.76 43.16 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.088 0.555 . . . . 0.0 111.707 -175.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 84.9 m-70 -122.43 101.02 7.25 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -144.05 156.26 44.31 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 121.64 0.733 . . . . 0.0 112.084 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.558 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 15.4 t -95.57 119.13 33.53 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.56 -37.52 86.49 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.226 0.536 . . . . 0.0 110.581 -177.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.49 64.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.016 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.18 -15.01 11.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.43 13.95 5.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.487 1.115 . . . . 0.0 112.11 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -104.64 152.47 22.42 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 55.5 m-85 -104.45 150.36 24.62 Favored 'General case' 0 N--CA 1.414 -2.265 0 O-C-N 123.825 0.703 . . . . 0.0 109.364 -174.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CE1' HD23 ' A' ' 58' ' ' LEU . 68.4 m-85 -128.87 146.63 50.89 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.578 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -61.64 -37.45 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.477 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -140.53 154.89 46.72 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 29.8 t -61.12 -28.73 69.31 Favored 'General case' 0 C--O 1.206 -1.206 0 O-C-N 123.39 0.431 . . . . 0.0 111.09 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.7 m -62.39 -38.15 88.53 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.18 0.514 . . . . 0.0 110.226 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -71.56 -38.1 71.0 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -67.66 -48.22 67.26 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.125 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.83 -43.5 77.06 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 123.994 0.918 . . . . 0.0 111.407 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.9 m -62.78 -30.22 71.29 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.52 0.676 . . . . 0.0 110.437 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 45.9 t60 -61.03 -30.82 70.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.473 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.9 m-85 -90.58 12.56 18.43 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 118.101 -1.44 . . . . 0.0 110.543 -178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.33 10.87 9.46 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 122.127 0.965 . . . . 0.0 110.617 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 t -97.07 109.69 22.39 Favored 'General case' 0 N--CA 1.412 -2.336 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -61.0 -42.25 98.1 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.1 -31.87 65.72 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 121.649 0.738 . . . . 0.0 111.422 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -66.98 -56.45 10.11 Favored 'General case' 0 CA--C 1.479 -1.768 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.431 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 48.6 mtpt . . . . . 0 C--N 1.28 -2.455 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.238 -176.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 C--O 1.245 0.854 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.34 32.72 84.57 Favored Glycine 0 CA--C 1.499 -0.955 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.99 1.11 31.14 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.382 -0.409 . . . . 0.0 112.326 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.34 88.62 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.98 -26.49 27.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.212 0.529 . . . . 0.0 111.394 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 82.5 m-70 -102.64 95.21 6.07 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -175.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 147.83 45.3 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.539 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 9.9 t -95.52 117.66 30.81 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.923 -1.49 . . . . 0.0 107.268 173.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.87 -34.36 75.87 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.334 0.396 . . . . 0.0 111.671 -176.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.38 -17.73 64.3 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.856 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.6 m -115.31 -18.64 11.02 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.5 20.21 9.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.994 0.918 . . . . 0.0 109.979 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -104.83 143.22 33.43 Favored 'General case' 0 CA--C 1.482 -1.638 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.771 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -104.72 140.87 37.43 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.427 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' CD1' HD23 ' A' ' 58' ' ' LEU . 79.2 m-85 -118.58 147.02 44.14 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.515 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -59.04 -32.18 47.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 124.339 1.056 . . . . 0.0 112.733 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -151.46 154.42 36.56 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.41 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 35.2 t -58.33 -31.85 67.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 123.373 0.669 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 20.6 m -64.06 -39.44 94.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -39.22 86.73 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 120.794 0.331 . . . . 0.0 110.655 177.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.603 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -64.88 -51.8 60.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.292 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 56' ' ' THR . 17.9 ptpt -63.36 -34.93 78.78 Favored 'General case' 0 C--N 1.298 -1.63 0 CA-C-O 120.892 0.377 . . . . 0.0 111.828 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -68.24 -30.29 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.884 0.849 . . . . 0.0 110.049 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 50.5 t60 -59.33 -29.08 67.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.629 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 23.5 m-85 -89.72 1.91 55.48 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.831 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -75.02 -10.7 59.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.471 0.653 . . . . 0.0 110.397 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 114.72 11.11 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.848 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.708 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.57 -38.02 66.19 Favored 'General case' 0 C--O 1.202 -1.435 0 C-N-CA 123.294 0.638 . . . . 0.0 111.467 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.6 -54.36 28.86 Favored 'General case' 0 CA--C 1.465 -2.294 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.502 -176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt . . . . . 0 N--CA 1.395 -3.189 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.043 -174.439 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo . . . . . 0 C--O 1.248 1.014 0 N-CA-C 110.611 -0.573 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.93 26.52 71.35 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.397 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.56 11.41 72.46 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.598 -0.301 . . . . 0.0 112.564 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.57 10.39 86.27 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.022 -0.608 . . . . 0.0 111.905 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.4 mt -90.24 -33.91 15.98 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-O 121.219 0.533 . . . . 0.0 111.197 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 55' ' ' SER . 51.8 m80 -96.99 91.71 5.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -174.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.1 ptt180 -144.24 145.39 32.02 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.611 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.579 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 30.0 t -96.05 116.37 28.85 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 174.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.49 -40.12 95.69 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.387 0.43 . . . . 0.0 111.771 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.45 64.09 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.788 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.3 m -111.24 -13.28 14.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.11 19.71 7.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.708 0.803 . . . . 0.0 110.933 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -105.32 146.92 28.72 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.06 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' ARG . 96.6 m-85 -105.8 143.52 33.82 Favored 'General case' 0 N--CA 1.398 -3.037 0 CA-C-N 114.272 -1.331 . . . . 0.0 108.783 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CD1' HD23 ' A' ' 58' ' ' LEU . 67.9 m-85 -126.28 144.46 50.79 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.57 -21.81 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -148.25 153.88 39.32 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.992 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.465 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 36.9 t -63.2 -29.85 71.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 122.752 0.421 . . . . 0.0 111.034 -178.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.9 m -65.56 -38.3 89.19 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -66.36 -41.74 89.03 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 121.125 0.488 . . . . 0.0 110.853 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.637 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -66.25 -49.37 67.4 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.173 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.58 -35.89 77.97 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.1 m -63.12 -30.87 71.94 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.637 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 58.0 t60 -60.81 -28.77 69.04 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.686 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 16.4 m-85 -93.57 -8.53 40.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.58 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -68.98 -11.58 60.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.366 0.603 . . . . 0.0 111.168 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.8 m -75.02 105.31 5.98 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.4 -39.82 67.63 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.86 0.864 . . . . 0.0 112.067 -175.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.98 -33.19 62.29 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 123.797 0.839 . . . . 0.0 111.869 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -69.54 -49.06 57.92 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.782 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.629 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.5 mtpt . . . . . 0 C--N 1.26 -3.308 0 C-N-CA 119.829 -0.749 . . . . 0.0 109.996 -174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' O ' ' HB3' ' A' ' 51' ' ' TYR . 39.7 Cg_exo . . . . . 0 C--O 1.241 0.631 0 CA-C-O 121.491 0.538 . . . . 0.0 113.133 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 73.85 22.39 78.18 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.891 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.42 5.52 55.33 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.234 -0.483 . . . . 0.0 112.674 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.93 13.88 69.97 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.85 -35.17 11.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 122.765 0.426 . . . . 0.0 110.801 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 78.0 m-70 -102.29 90.38 3.89 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -176.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.13 148.73 45.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.752 0.787 . . . . 0.0 111.581 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.723 ' HG ' ' HE1' ' A' ' 62' ' ' PHE . 9.3 t -96.48 117.05 30.1 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 170.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.47 -34.14 77.59 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.396 0.435 . . . . 0.0 110.669 -175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.23 72.36 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.017 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -96.04 -23.35 16.85 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 28.56 18.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.935 0.874 . . . . 0.0 109.545 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.37 154.6 24.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.997 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 38' ' ' PRO . 54.8 m-85 -104.71 129.3 52.93 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.441 -177.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.496 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 75.9 m-85 -113.46 141.64 46.87 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.539 HD13 ' H ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -65.09 -40.36 88.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.906 -176.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -135.81 149.16 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.154 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.454 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -59.13 -34.36 71.95 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 123.771 0.669 . . . . 0.0 111.904 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.3 m -63.07 -35.77 81.35 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.525 0.679 . . . . 0.0 109.887 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.12 -42.3 80.41 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.066 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.5 tm? -66.58 -47.34 73.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.717 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.611 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 8.8 mmpt? -58.24 -44.05 88.09 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.24 175.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.7 m -62.88 -33.57 75.56 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.588 0.709 . . . . 0.0 110.199 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 70.9 t60 -59.14 -29.24 67.27 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.487 -1.233 . . . . 0.0 113.198 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.723 ' HE1' ' HG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -97.42 4.74 50.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 117.477 -1.689 . . . . 0.0 110.703 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -78.73 -0.97 32.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -89.62 111.16 22.03 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -65.95 -25.76 67.27 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.787 -178.057 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.6 m-20 -64.04 -31.65 72.91 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 123.191 0.596 . . . . 0.0 111.362 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -66.32 -55.28 16.74 Favored 'General case' 0 CA--C 1.478 -1.79 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.367 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt . . . . . 0 C--N 1.271 -2.835 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.192 -174.741 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo . . . . . 0 C--O 1.245 0.86 0 N-CA-C 111.167 -0.359 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.12 73.44 Favored Glycine 0 N--CA 1.436 -1.32 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.378 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.27 0.97 67.91 Favored Glycine 0 N--CA 1.433 -1.564 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.76 -2.07 86.91 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -176.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -90.69 -37.07 13.97 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-O 121.131 0.491 . . . . 0.0 110.936 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.645 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 89.0 m-70 -89.16 86.43 6.87 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.52 0.676 . . . . 0.0 110.097 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -134.92 155.63 50.38 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.557 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.508 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 38.1 t -97.06 116.93 30.14 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.0 -39.18 90.06 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.225 0.536 . . . . 0.0 109.731 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -17.8 62.42 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.289 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -116.96 -10.46 10.95 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.2 17.42 6.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.716 0.806 . . . . 0.0 111.237 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -104.91 142.47 34.7 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -105.08 137.11 43.36 Favored 'General case' 0 N--CA 1.411 -2.375 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.425 ' CD1' HD23 ' A' ' 58' ' ' LEU . 72.4 m-85 -115.58 144.32 44.06 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -62.9 -25.34 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -145.7 151.63 38.32 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.645 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 30.5 p -57.14 -33.19 67.14 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 111.484 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -66.63 -33.24 75.21 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -69.3 -42.04 75.97 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-O 121.415 0.626 . . . . 0.0 109.473 177.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -62.59 -50.51 71.01 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.688 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.73 -43.17 94.33 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.192 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -64.62 -31.57 72.85 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.334 0.588 . . . . 0.0 110.051 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.498 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 27.3 t60 -58.85 -30.11 67.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.029 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.686 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 24.7 m-85 -85.16 3.74 37.69 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.476 -1.29 . . . . 0.0 111.038 -178.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -67.7 -7.74 29.55 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.459 0.647 . . . . 0.0 111.002 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -72.16 97.62 1.98 Allowed 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 169.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.594 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -65.29 -25.8 67.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.471 -177.272 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.48 -34.69 78.48 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.864 0.84 . . . . 0.0 109.113 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -72.86 -47.73 43.59 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.293 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.686 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 51.8 mtmt . . . . . 0 C--N 1.285 -2.213 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.483 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 51' ' ' TYR . 24.5 Cg_exo . . . . . 0 C--O 1.245 0.857 0 N-CA-C 111.089 -0.389 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.86 20.3 75.93 Favored Glycine 0 CA--C 1.501 -0.792 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.6 15.05 59.01 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 -177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.425 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 75.75 5.27 78.7 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.205 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.7 -8.32 54.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.003 0.43 . . . . 0.0 111.825 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.504 ' HB3' HD23 ' A' ' 58' ' ' LEU . 82.7 m-70 -128.46 99.62 5.46 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.461 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.0 ptt180 -143.85 151.77 40.31 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-O 122.043 0.925 . . . . 0.0 113.089 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.626 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.5 t -96.4 117.14 30.26 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -42.24 98.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 123.749 0.82 . . . . 0.0 111.061 -175.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.253 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 100.0 m -96.95 -14.04 21.99 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.861 -0.736 . . . . 0.0 112.11 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.47 15.77 4.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.376 1.07 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 41.3 mmt180 -104.81 148.11 26.99 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 78.1 m-85 -104.23 141.16 36.77 Favored 'General case' 0 N--CA 1.397 -3.09 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 5.6 m-85 -121.76 152.94 38.91 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.6 pt -60.48 -33.55 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.09 160.26 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.84 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -65.04 -27.44 68.8 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.691 0.796 . . . . 0.0 111.578 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.3 p -60.32 -44.51 95.39 Favored 'General case' 0 N--CA 1.414 -2.232 0 CA-C-O 121.601 0.715 . . . . 0.0 110.027 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -60.3 -43.34 96.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.653 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.548 ' CD2' ' HB2' ' A' ' 52' ' ' PHE . 3.6 mm? -61.92 -54.46 41.65 Favored 'General case' 0 CA--C 1.479 -1.765 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.63 -36.2 78.05 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.915 -177.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.5 m -71.82 -34.0 68.97 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.71 0.767 . . . . 0.0 109.689 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.35 -37.52 87.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.134 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.626 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 39.5 m-85 -83.53 6.43 20.46 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.507 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -71.56 -6.16 38.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.219 0.533 . . . . 0.0 111.148 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -75.65 106.44 7.21 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.98 -37.99 84.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.008 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.88 -37.5 79.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.895 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -70.74 -45.4 64.93 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.119 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 46.0 mtmt . . . . . 0 C--N 1.268 -2.958 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.663 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--O 1.235 0.347 0 CA-C-O 121.119 0.383 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.33 -2.52 66.13 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.405 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.34 9.23 53.84 Favored Glycine 0 N--CA 1.438 -1.185 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.21 25.52 36.66 Favored Glycine 0 N--CA 1.431 -1.669 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -119.25 -165.68 1.17 Allowed 'General case' 1 N--CA 1.36 -4.944 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 39.66 66.64 0.55 Allowed 'General case' 0 C--N 1.281 -2.376 0 C-N-CA 126.123 1.769 . . . . 0.0 110.633 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -126.9 144.94 50.85 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.081 0.943 . . . . 0.0 113.379 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 26.5 t -94.82 117.37 30.02 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.02 -33.94 76.89 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.116 0.484 . . . . 0.0 110.697 -176.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.76 65.05 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.854 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.87 -14.45 10.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.77 14.99 5.51 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.332 1.053 . . . . 0.0 112.336 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 151.43 24.88 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -104.21 145.18 30.58 Favored 'General case' 0 N--CA 1.407 -2.608 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.433 ' CE1' HD23 ' A' ' 58' ' ' LEU . 61.7 m-85 -120.78 146.02 46.95 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 pt -71.47 -26.83 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.842 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -140.11 153.05 46.59 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.335 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -63.14 -31.32 72.43 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.559 0.744 . . . . 0.0 110.422 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.9 m -61.89 -42.64 99.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -66.86 -41.95 86.5 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 123.662 0.785 . . . . 0.0 110.818 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -65.73 -48.74 70.91 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.729 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.19 -42.96 92.1 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.8 m -62.1 -30.05 70.74 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.769 0.795 . . . . 0.0 110.32 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.652 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 41.6 t60 -60.5 -29.9 69.37 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.177 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.467 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.8 m-85 -91.09 8.99 32.79 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.409 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.29 -12.7 61.26 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.058 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 m -78.81 99.39 6.69 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -64.37 -25.46 68.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -175.292 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.457 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.0 t70 -61.36 -32.3 72.2 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 122.131 0.967 . . . . 0.0 109.876 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -68.05 -50.81 52.9 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.491 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.4 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 48.3 mtpt . . . . . 0 C--N 1.279 -2.463 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.433 -176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.242 0.704 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.09 133.74 45.66 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.327 2.018 . . . . 0.0 111.619 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t30 53.29 77.86 0.16 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 124.454 1.101 . . . . 0.0 112.69 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -167.54 90.07 0.33 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.892 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -83.99 -17.14 41.5 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 122.469 1.128 . . . . 0.0 108.904 174.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -104.18 169.17 8.64 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 113.502 -1.681 . . . . 0.0 109.617 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 12.2 t70 -104.74 135.39 19.31 Favored Pre-proline 0 C--N 1.305 -1.369 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 175.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -84.99 1.0 8.74 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.271 1.981 . . . . 0.0 115.097 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -103.11 -31.71 10.02 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.47 0.652 . . . . 0.0 109.997 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 3.7 mm? -90.56 133.47 32.72 Favored Pre-proline 0 C--N 1.297 -1.709 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.96 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 32.0 Cg_exo -59.38 129.99 33.8 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 122.662 2.241 . . . . 0.0 111.04 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 76.37 21.54 75.15 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 34' ' ' ASP . . . 70.18 7.93 60.89 Favored Glycine 0 CA--C 1.493 -1.307 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.926 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.05 10.93 78.7 Favored Glycine 0 N--CA 1.437 -1.27 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -95.02 -10.87 29.6 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 123.211 0.604 . . . . 0.0 112.46 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.64 99.46 6.18 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -129.25 148.14 51.15 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.354 0.597 . . . . 0.0 110.893 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.583 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 19.2 t -97.27 115.81 28.32 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 163.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.8 -36.8 84.54 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 120.915 0.388 . . . . 0.0 111.233 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -17.86 65.0 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.741 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 78.8 m -114.19 -12.76 12.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.43 24.02 9.71 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.632 0.73 . . . . 0.0 110.557 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 99.5 mtt180 -105.42 143.52 33.47 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.907 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.61 128.3 53.54 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.498 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 76.1 m-85 -111.86 146.0 38.48 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 pt -61.89 -29.98 47.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -149.06 156.01 41.59 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -61.65 -32.77 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.561 0.538 . . . . 0.0 110.637 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.5 m -64.05 -40.14 95.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -68.2 -37.15 80.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.253 0.549 . . . . 0.0 111.227 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -67.55 -50.46 58.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.263 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.19 -34.27 77.71 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.5 m -64.32 -30.26 71.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.881 0.848 . . . . 0.0 109.703 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.535 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 33.7 t60 -63.69 -28.78 70.13 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.554 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 22.4 m-85 -85.65 6.71 26.27 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 118.478 -1.289 . . . . 0.0 110.62 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -75.06 3.41 8.53 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.841 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 m -85.08 104.75 15.27 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -59.48 -30.88 68.85 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.548 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 16.5 t70 -71.33 -30.48 66.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.742 0.782 . . . . 0.0 110.722 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.583 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.2 t60 -64.55 -52.72 56.21 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 71' ' ' LEU . 47.8 mtmt -69.88 -29.28 66.45 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.331 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 73.0 tttt -58.02 -44.57 87.38 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.813 169.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -69.27 -31.32 69.76 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 72.4 mt -67.75 -39.0 84.22 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.973 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.13 -41.24 97.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.462 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.4 -40.33 81.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.189 0.519 . . . . 0.0 111.029 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.1 tp -78.94 -16.59 56.78 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.031 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t 77.42 23.07 0.89 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.423 1.089 . . . . 0.0 110.954 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.68 -58.91 5.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.02 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -142.9 96.83 5.94 Favored Pre-proline 0 N--CA 1.427 -1.6 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.639 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.84 126.32 15.75 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.249 1.966 . . . . 0.0 108.88 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.501 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 97.6 m-85 69.77 90.87 0.09 Allowed 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.89 0.876 . . . . 0.0 110.25 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.7 t -103.37 -165.89 1.21 Allowed 'General case' 0 N--CA 1.418 -2.052 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.66 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -69.8 150.45 46.85 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 80.2 -0.24 2.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.119 1.368 . . . . 0.0 110.083 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' OE1' ' HA ' ' A' ' 79' ' ' TYR . 44.1 tt0 -128.83 -60.12 1.1 Allowed 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.205 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.501 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . . . -99.2 23.07 9.61 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.31 1.052 . . . . 0.0 109.932 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.8 93.41 0.11 Allowed 'General case' 0 N--CA 1.398 -3.05 0 N-CA-C 104.034 -2.58 . . . . 0.0 104.034 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 4.2 ppt_? -123.52 148.82 45.91 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -174.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.47 39.98 1.43 Allowed 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.29 79.99 1.94 Allowed 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.315 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.98 -120.96 0.55 Allowed Glycine 0 C--N 1.277 -2.7 0 CA-C-N 114.018 -1.446 . . . . 0.0 110.69 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.58 92.19 0.05 Allowed 'General case' 0 C--O 1.243 0.739 0 C-N-CA 124.343 1.057 . . . . 0.0 110.109 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -121.34 66.54 0.45 Allowed Glycine 0 N--CA 1.428 -1.895 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.6 m -115.13 116.02 27.71 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-O 120.864 0.364 . . . . 0.0 110.743 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -114.15 160.46 18.94 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.259 1.553 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 178.079 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -63.35 -177.17 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 123.017 2.478 . . . . 0.0 111.849 176.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.12 -34.97 75.82 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 65.66 90.17 0.09 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.375 1.07 . . . . 0.0 111.442 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.96 -24.57 52.31 Favored 'General case' 0 N--CA 1.426 -1.648 0 CA-C-O 121.723 0.773 . . . . 0.0 109.189 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 47.3 p90 -82.57 167.97 17.81 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.877 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 12.0 t70 -92.19 122.66 64.46 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 34' ' ' ASP . 6.1 Cg_exo -72.79 -10.0 24.44 Favored 'Trans proline' 0 C--O 1.245 0.861 0 C-N-CA 122.661 2.24 . . . . 0.0 114.253 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -88.15 -33.42 18.21 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 8.5 mp -89.73 139.66 27.86 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.593 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 25.3 Cg_exo -61.74 114.77 2.41 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.258 1.972 . . . . 0.0 111.761 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.93 20.86 72.99 Favored Glycine 0 CA--C 1.505 -0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.491 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 69.94 7.85 60.0 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 -177.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 76.95 3.52 80.99 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.885 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.4 -9.2 58.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.238 0.615 . . . . 0.0 111.656 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -127.36 99.3 5.58 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.8 ptt180 -145.81 151.35 37.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.771 0.796 . . . . 0.0 112.956 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.505 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 23.5 t -97.05 117.74 31.9 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 113.98 -1.464 . . . . 0.0 107.114 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.0 -36.88 85.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.991 0.424 . . . . 0.0 111.114 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.05 67.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.192 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.86 -14.59 14.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 64.1 12.46 7.02 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.401 1.08 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -106.14 154.52 20.56 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 85.8 m-85 -105.14 145.85 30.0 Favored 'General case' 0 N--CA 1.406 -2.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.483 ' CD1' HD23 ' A' ' 58' ' ' LEU . 76.9 m-85 -120.08 153.5 36.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 pt -63.44 -39.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.09 177.77 8.71 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.195 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -70.57 -31.78 68.93 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -64.17 -47.11 81.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.253 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -63.22 -40.21 96.81 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.484 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.586 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -63.13 -50.49 70.24 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.809 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.03 -34.79 78.32 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -61.36 -30.3 70.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.994 0.902 . . . . 0.0 109.488 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.586 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 34.5 t60 -65.47 -28.89 69.54 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.565 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 22.8 m-85 -91.06 14.03 15.16 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.243 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 3.6 mmp_? -75.9 2.57 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -91.35 108.98 20.25 Favored 'General case' 0 N--CA 1.42 -1.927 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -58.58 -35.59 72.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.542 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 6.9 m-20 -64.95 -30.07 71.04 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.123 0.969 . . . . 0.0 112.052 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.76 -56.09 6.41 Favored 'General case' 0 CA--C 1.478 -1.822 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.79 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.1 mtpt -64.52 -28.8 69.9 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.789 -178.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 77.3 tttt -54.63 -47.97 72.82 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.098 170.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -62.6 -34.71 77.57 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.292 0.567 . . . . 0.0 110.158 -177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.12 -35.63 80.16 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.282 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -74.71 -27.85 60.55 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.765 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -68.4 -39.78 81.54 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 74' ' ' LEU . 6.0 tt -74.12 -30.93 62.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.0 t 71.78 86.83 0.11 Allowed 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 125.951 1.7 . . . . 0.0 110.362 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.407 HG23 ' OE2' ' A' ' 77' ' ' GLU . 11.5 m -74.29 -37.95 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.039 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.017 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' OE2' HG23 ' A' ' 76' ' ' VAL . 6.6 mp0 -84.45 154.63 62.67 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 170.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -66.71 129.42 21.01 Favored 'Trans proline' 0 C--O 1.252 1.22 0 C-N-CA 121.81 1.673 . . . . 0.0 110.088 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 67.36 169.15 0.25 Allowed 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.394 1.078 . . . . 0.0 112.779 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -89.07 179.79 6.07 Favored 'General case' 0 N--CA 1.396 -3.127 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -39.65 88.98 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -89.17 66.62 7.74 Favored 'General case' 0 C--N 1.259 -3.334 0 CA-C-O 122.383 1.087 . . . . 0.0 109.227 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 172.54 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 112.356 -2.202 . . . . 0.0 107.042 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -141.87 103.8 4.4 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.115 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.51 -67.62 0.84 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 62.88 69.57 0.58 Allowed 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.989 -1.46 . . . . 0.0 111.14 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.25 -85.63 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.229 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 168.34 97.19 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.214 1.405 . . . . 0.0 108.245 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.85 -118.78 3.42 Favored Glycine 0 N--CA 1.435 -1.379 0 C-N-CA 120.219 -0.991 . . . . 0.0 111.194 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 87.2 mtp -84.83 95.71 9.07 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.178 0.513 . . . . 0.0 109.881 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.16 -24.1 12.01 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m 68.44 129.83 0.03 OUTLIER 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.726 1.211 . . . . 0.0 112.958 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -83.7 95.34 8.36 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 122.356 1.074 . . . . 0.0 109.351 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.261 -3.265 0 CA-C-N 113.145 -1.843 . . . . 0.0 107.729 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 CA--C 1.514 -0.419 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -85.1 -169.66 0.66 Allowed 'Trans proline' 0 CA--C 1.511 -0.673 0 C-N-CA 122.658 2.239 . . . . 0.0 110.89 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.84 -26.92 67.88 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 75.83 79.51 0.1 Allowed 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 125.75 1.62 . . . . 0.0 111.95 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -124.11 95.27 4.49 Favored 'General case' 0 N--CA 1.39 -3.474 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -127.17 156.13 42.3 Favored 'General case' 0 C--N 1.254 -3.555 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.041 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.73 126.57 75.29 Favored Pre-proline 0 C--N 1.302 -1.463 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -91.33 8.91 3.08 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.222 1.948 . . . . 0.0 114.702 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -107.85 -34.1 7.04 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mp -91.63 131.91 34.67 Favored Pre-proline 0 C--N 1.3 -1.572 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.832 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.1 140.7 93.78 Favored 'Trans proline' 0 C--O 1.252 1.199 0 C-N-CA 122.641 2.227 . . . . 0.0 112.065 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 69.58 30.63 70.83 Favored Glycine 0 CA--C 1.502 -0.771 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.245 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.87 7.33 58.82 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.631 -0.285 . . . . 0.0 113.027 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.67 9.43 86.28 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.098 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.38 -12.82 22.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -126.72 100.78 6.34 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.083 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.504 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.09 147.22 38.19 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.39 0.614 . . . . 0.0 112.345 178.036 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.442 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.9 t -97.04 116.19 28.8 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 169.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.78 -32.64 74.06 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.362 0.601 . . . . 0.0 110.931 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.65 -18.32 65.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.63 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 74.1 m -117.95 -11.24 10.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.12 7.2 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.95 0.9 . . . . 0.0 111.097 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.2 mmt180 -105.79 143.81 33.41 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.418 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.504 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 44.2 m-85 -105.24 142.98 34.05 Favored 'General case' 0 N--CA 1.406 -2.663 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.175 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CE1' HD23 ' A' ' 58' ' ' LEU . 70.4 m-85 -121.36 149.65 42.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.123 -176.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -62.34 -29.75 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -148.65 157.61 43.57 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -62.4 -32.15 72.93 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 123.355 0.409 . . . . 0.0 110.686 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.7 m -66.07 -36.71 83.93 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.782 0.325 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -69.77 -39.15 76.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 121.237 0.541 . . . . 0.0 110.419 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.611 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.1 tm? -64.57 -49.24 71.97 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.089 176.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.75 -37.45 79.04 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.916 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' ' 63' ' ' ARG . 90.8 m -63.51 -29.78 71.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.227 1.013 . . . . 0.0 110.342 176.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.611 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 25.1 t60 -62.99 -28.64 70.24 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.906 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 21.7 m-85 -89.09 15.9 8.0 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.826 -178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 60' ' ' THR . 6.5 mpt_? -67.79 -11.03 57.64 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.551 171.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 p -72.94 107.1 5.13 Favored 'General case' 0 N--CA 1.422 -1.845 0 C-N-CA 124.096 0.958 . . . . 0.0 109.642 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.611 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -33.05 73.09 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.622 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.611 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.6 t70 -72.7 -31.36 64.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-O 121.43 0.633 . . . . 0.0 109.711 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.674 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 16.0 t60 -64.11 -51.3 64.61 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.695 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 48.3 mtmt -70.05 -29.77 66.87 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.662 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -66.04 -39.95 90.59 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -62.8 -32.36 73.52 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 76.0 mt -75.58 -44.11 44.87 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.249 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -65.82 -39.05 90.47 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.974 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -78.17 -21.38 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.369 0.604 . . . . 0.0 110.872 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 74' ' ' LEU . 6.3 tt -76.55 -27.7 56.0 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -70.87 161.55 30.8 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.435 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.8 t -88.07 -46.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 120.772 0.32 . . . . 0.0 111.849 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.55 -52.1 72.23 Favored Pre-proline 0 CA--C 1.564 1.51 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -74.82 160.67 40.39 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 121.696 1.597 . . . . 0.0 111.729 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 64.83 115.64 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.413 1.085 . . . . 0.0 112.979 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.0 m -76.21 104.2 6.62 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 64.1 tt0 -71.19 72.95 0.65 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.217 -174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -163.2 -54.53 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 128.056 2.542 . . . . 0.0 105.475 175.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -78.72 -32.85 47.02 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 113.732 -1.576 . . . . 0.0 109.396 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.482 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -129.45 104.48 7.5 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -117.74 65.61 0.74 Allowed 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 70.33 -24.77 0.16 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.861 1.265 . . . . 0.0 114.068 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 71.69 87.34 0.11 Allowed 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.04 1.336 . . . . 0.0 111.279 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.54 -23.56 21.98 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.331 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 -14.91 52.81 Favored Glycine 0 C--N 1.318 -0.422 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.799 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.9 mtt -88.3 136.6 32.9 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 122.72 0.408 . . . . 0.0 110.157 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.12 -73.35 0.05 OUTLIER Glycine 0 N--CA 1.436 -1.333 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 p -82.49 99.46 9.48 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -147.37 139.34 24.29 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 118.827 -0.606 . . . . 0.0 109.994 -178.536 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--O 1.237 0.398 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -51.74 133.91 46.06 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 123.295 2.664 . . . . 0.0 113.437 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 62.71 13.99 6.87 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.741 1.216 . . . . 0.0 112.096 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.59 86.28 2.55 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.188 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -62.9 -39.92 95.98 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.018 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -64.91 141.84 58.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.342 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 12.4 t70 -90.03 128.09 51.16 Favored Pre-proline 0 C--N 1.298 -1.671 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 34' ' ' ASP . 21.5 Cg_exo -66.84 -18.65 52.88 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 122.908 2.406 . . . . 0.0 115.08 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -81.58 -30.49 32.98 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-O 121.887 0.851 . . . . 0.0 109.451 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 6.1 mp -85.46 132.58 44.38 Favored Pre-proline 0 C--N 1.293 -1.874 0 CA-C-N 114.509 -1.223 . . . . 0.0 108.842 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 31.9 Cg_exo -59.63 106.09 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.175 1.917 . . . . 0.0 110.814 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.44 30.66 76.95 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.61 6.45 55.09 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 111.749 -0.541 . . . . 0.0 111.749 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.48 12.78 77.39 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.35 -23.81 19.12 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-O 121.017 0.437 . . . . 0.0 110.949 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.567 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 79.9 m-70 -110.14 96.54 6.29 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -142.85 161.12 38.95 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 121.609 0.719 . . . . 0.0 112.213 -178.694 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.608 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 31.8 t -95.23 116.53 28.88 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.94 -38.64 82.99 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 123.521 0.513 . . . . 0.0 111.224 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.48 -27.35 66.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.929 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.6 m -101.69 -15.34 17.03 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 63.22 11.42 5.33 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.482 1.113 . . . . 0.0 112.122 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 79.4 mtp180 -105.35 149.09 26.38 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.146 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -104.69 145.82 29.8 Favored 'General case' 0 N--CA 1.405 -2.682 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.962 -173.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD1' HD23 ' A' ' 58' ' ' LEU . 76.2 m-85 -124.77 146.13 49.37 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -58.38 -27.99 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -149.94 153.84 37.28 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.567 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 40.7 t -58.32 -33.95 70.07 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.158 0.583 . . . . 0.0 111.233 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -37.2 85.88 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.947 0.403 . . . . 0.0 110.094 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -66.84 -41.61 87.14 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -62.11 -50.34 72.3 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.666 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 55' ' ' SER . 68.0 mttm -57.21 -39.67 75.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.594 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.9 m -63.24 -30.34 71.5 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.693 0.758 . . . . 0.0 110.489 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.541 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 29.0 t60 -62.61 -28.59 70.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.602 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.608 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 24.0 m-85 -91.1 13.44 16.9 Favored 'General case' 0 C--O 1.206 -1.207 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.032 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -67.89 -11.53 58.88 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.62 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -78.87 103.46 8.83 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.344 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -33.87 76.69 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.552 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 19.7 t70 -62.36 -31.69 72.37 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.053 0.93 . . . . 0.0 109.894 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -71.95 -49.71 35.17 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 29.1 mtpp -66.16 -29.28 69.54 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.945 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 52.3 tptt -55.53 -44.0 76.3 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.808 0.843 . . . . 0.0 110.724 171.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.69 -40.15 86.9 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 74' ' ' LEU . 10.2 mp -76.86 -29.42 55.83 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.318 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.88 -40.76 89.8 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 123.65 0.78 . . . . 0.0 112.299 -176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -69.47 -22.09 63.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.785 0.803 . . . . 0.0 110.235 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 87.5 mt -88.91 -15.12 35.15 Favored 'General case' 0 N--CA 1.424 -1.767 0 C-N-CA 125.653 1.581 . . . . 0.0 110.436 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.0 m 87.68 -60.58 0.03 OUTLIER 'General case' 0 C--O 1.248 0.994 0 C-N-CA 127.097 2.159 . . . . 0.0 107.379 -168.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -155.96 -68.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 164.68 151.02 0.05 OUTLIER Pre-proline 0 C--N 1.314 -0.957 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -46.74 106.55 0.1 Allowed 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.737 1.625 . . . . 0.0 109.843 172.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -80.25 162.87 24.39 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 t -146.82 165.27 30.2 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-O 121.603 0.715 . . . . 0.0 111.063 -173.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -79.03 5.63 11.33 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.936 1.35 . . . . 0.0 109.667 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -76.0 -5.9 48.51 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.848 -1.524 . . . . 0.0 110.259 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -113.75 -59.77 1.97 Allowed 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.783 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -108.76 113.02 25.63 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.414 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.47 -13.58 60.72 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.476 0.485 . . . . 0.0 111.957 -177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 70.28 98.33 0.06 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.505 1.122 . . . . 0.0 112.572 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.16 28.12 17.67 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.518 0.727 . . . . 0.0 112.76 175.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.1 61.24 5.73 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 122.45 1.119 . . . . 0.0 109.949 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -156.01 144.83 11.33 Favored Glycine 0 C--N 1.286 -2.208 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.276 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 65.0 83.87 0.16 Allowed 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.41 1.084 . . . . 0.0 111.955 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.58 37.57 1.36 Allowed Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.556 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.9 p -121.16 84.79 2.29 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 120.622 0.248 . . . . 0.0 110.426 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 68.1 t80 64.28 160.16 0.1 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.793 1.237 . . . . 0.0 112.017 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.313 -1.018 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.936 178.551 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.238 0.487 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.11 150.51 78.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.987 2.458 . . . . 0.0 111.604 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 t30 57.64 82.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.175 0.99 . . . . 0.0 111.887 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -146.41 48.44 1.19 Allowed 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -79.0 90.23 4.78 Favored 'General case' 0 N--CA 1.426 -1.662 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.846 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.4 p90 177.89 167.28 0.72 Allowed 'General case' 0 C--N 1.254 -3.582 0 CA-C-N 112.347 -2.206 . . . . 0.0 109.06 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.15 98.81 3.68 Favored Pre-proline 0 N--CA 1.43 -1.443 0 C-N-CA 123.715 0.806 . . . . 0.0 111.471 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.4 -14.57 34.19 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 122.892 2.395 . . . . 0.0 112.721 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.8 -30.36 62.69 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 9.2 mp -93.31 143.89 27.41 Favored Pre-proline 0 C--N 1.302 -1.488 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.251 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 45.7 Cg_exo -56.77 129.08 32.71 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.336 2.69 . . . . 0.0 112.574 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 71.04 21.11 78.31 Favored Glycine 0 CA--C 1.497 -1.062 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.917 178.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.79 18.28 72.17 Favored Glycine 0 N--CA 1.437 -1.272 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.47 -2.28 31.0 Favored Glycine 0 N--CA 1.442 -0.916 0 O-C-N 123.938 0.434 . . . . 0.0 112.595 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.04 0.71 34.62 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 76.8 m-70 -135.13 102.67 5.27 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -142.85 152.19 41.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.222 0.534 . . . . 0.0 112.228 178.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.506 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.7 t -96.03 119.3 34.27 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.72 -30.97 70.59 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.257 0.551 . . . . 0.0 111.09 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -16.49 63.84 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.391 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.0 m -117.24 -26.41 6.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 68.71 14.06 8.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.213 1.005 . . . . 0.0 112.099 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -105.45 153.74 21.29 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -105.28 152.65 22.64 Favored 'General case' 0 N--CA 1.414 -2.261 0 C-N-CA 123.696 0.799 . . . . 0.0 110.278 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CE1' HD23 ' A' ' 58' ' ' LEU . 64.1 m-85 -127.49 145.92 50.68 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.207 -178.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.419 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 28.5 pt -63.27 -29.54 47.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -146.95 154.2 40.98 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.9 t -61.08 -31.6 71.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.531 0.519 . . . . 0.0 111.012 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.5 m -61.36 -43.17 99.32 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.79 -46.24 90.41 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.364 0.665 . . . . 0.0 110.38 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.634 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -60.06 -49.19 78.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.67 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -63.04 -38.91 93.07 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.556 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -65.03 -31.0 72.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.833 0.825 . . . . 0.0 109.618 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.634 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 37.5 t60 -56.74 -28.41 61.06 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.221 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.524 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 16.9 m-85 -92.59 7.34 43.75 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.104 -1.039 . . . . 0.0 111.091 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 5.4 mmp_? -64.23 -24.88 67.83 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.006 0.431 . . . . 0.0 110.865 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.9 m -73.58 101.99 3.75 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -63.63 -25.61 68.3 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.148 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.48 -35.42 63.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.8 0.84 . . . . 0.0 111.007 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.608 ' O ' HD13 ' A' ' 71' ' ' LEU . 5.1 t60 -67.42 -56.83 8.05 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.034 -178.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.608 ' O ' ' HD3' ' A' ' 72' ' ' LYS . 52.2 mtmt -70.32 -28.99 65.6 Favored 'General case' 0 C--N 1.281 -2.397 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.569 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.17 -39.82 91.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.809 171.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -62.86 -30.17 71.31 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.533 0.682 . . . . 0.0 109.246 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 67' ' ' HIS . 8.9 mp -71.16 -44.26 65.86 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.668 1.187 . . . . 0.0 110.54 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.608 ' HD3' ' O ' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -68.1 -35.21 77.79 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.573 177.159 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -63.48 -39.78 95.36 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 74' ' ' LEU . 3.2 tm? -70.0 -30.51 67.85 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.0 m 73.15 91.68 0.09 Allowed 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 125.447 1.499 . . . . 0.0 110.738 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -91.59 -67.5 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.939 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' HB3' ' HD3' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -173.17 -60.99 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.252 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.824 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 77' ' ' GLU . 94.4 Cg_endo -78.97 149.55 22.78 Favored 'Trans proline' 0 C--N 1.369 1.646 0 C-N-CA 121.422 1.415 . . . . 0.0 111.518 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -156.93 159.8 38.46 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.597 ' O ' ' HB3' ' A' ' 83' ' ' GLU . 12.1 m -93.61 142.46 27.32 Favored 'General case' 0 N--CA 1.392 -3.36 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -70.48 148.97 47.67 Favored 'General case' 0 C--N 1.271 -2.841 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.152 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HA ' ' HB2' ' A' ' 85' ' ' GLU . 37.1 tt0 78.44 -38.91 0.24 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.256 1.422 . . . . 0.0 110.408 -173.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.597 ' HB3' ' O ' ' A' ' 80' ' ' SER . 37.6 tt0 -58.08 -50.24 74.15 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 124.525 1.13 . . . . 0.0 109.693 174.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.14 6.75 45.41 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.566 0.698 . . . . 0.0 112.053 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 67.6 mm-40 -97.8 -71.95 0.67 Allowed 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.901 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -132.24 100.14 4.92 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.942 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.06 -26.28 27.09 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.75 85.13 0.21 Allowed 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.36 44.85 1.11 Allowed Glycine 0 N--CA 1.435 -1.421 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.584 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.4 ttt -161.42 120.47 2.48 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.77 -135.96 4.39 Favored Glycine 0 N--CA 1.42 -2.39 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -95.01 108.3 20.36 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.032 0.444 . . . . 0.0 110.278 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -136.96 123.3 20.67 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.267 0.556 . . . . 0.0 109.69 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--N 1.291 -1.951 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.498 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 CA--C 1.51 -0.585 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -51.58 164.1 1.01 Allowed 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.191 1.928 . . . . 0.0 111.491 173.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -61.45 -24.56 66.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.175 0.512 . . . . 0.0 111.368 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 69.26 32.08 3.72 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.464 1.105 . . . . 0.0 112.253 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -128.73 125.41 37.88 Favored 'General case' 0 C--N 1.279 -2.498 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -136.68 -175.66 4.09 Favored 'General case' 0 C--N 1.268 -2.959 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.838 -175.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.93 123.49 25.79 Favored Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 123.518 0.511 . . . . 0.0 110.836 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -80.92 -14.64 10.98 Favored 'Trans proline' 0 C--O 1.239 0.527 0 C-N-CA 122.751 2.3 . . . . 0.0 113.857 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -82.46 -32.66 28.8 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.37 132.42 30.44 Favored Pre-proline 0 C--N 1.294 -1.809 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.069 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -62.61 119.9 7.19 Favored 'Trans proline' 0 C--O 1.241 0.63 0 C-N-CA 122.517 2.144 . . . . 0.0 110.92 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.68 27.83 73.03 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.07 7.56 59.86 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.04 83.38 Favored Glycine 0 N--CA 1.438 -1.198 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -85.77 -24.28 26.92 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.799 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.472 ' HB3' HD23 ' A' ' 58' ' ' LEU . 60.7 m-70 -109.5 96.48 6.31 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -176.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -139.63 150.12 44.58 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-O 121.965 0.888 . . . . 0.0 111.998 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.619 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 12.2 t -96.63 116.89 29.86 Favored 'General case' 0 C--N 1.272 -2.785 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 170.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.58 -36.58 84.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.28 65.23 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.963 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 95.2 m -112.72 -16.01 12.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.79 18.53 7.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.422 0.689 . . . . 0.0 110.713 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 94.9 mtt180 -105.93 141.97 36.43 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.083 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 90.7 m-85 -105.51 138.39 41.79 Favored 'General case' 0 N--CA 1.398 -3.046 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 24.8 m-85 -122.51 154.54 37.72 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -70.15 -21.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 57' ' ' ASN . 30.2 t70 -148.68 153.25 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.838 -177.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.0 t -66.61 -26.1 66.93 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.695 0.798 . . . . 0.0 111.573 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -30.14 66.62 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 89.9 m-20 -66.8 -43.52 83.65 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.769 175.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.0 mm? -58.78 -51.28 70.65 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.251 0.548 . . . . 0.0 111.008 172.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 58.8 tttm -53.19 -43.69 67.35 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.668 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.427 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 45.6 m -71.91 -31.84 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.006 0.907 . . . . 0.0 109.953 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -65.15 -35.33 80.76 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.526 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.619 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 30.6 m-85 -91.79 4.51 52.68 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.822 -1.151 . . . . 0.0 111.106 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 4.1 mmp_? -67.99 -32.94 73.69 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.073 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 m -65.6 109.55 2.42 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.634 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -58.34 -31.22 67.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.386 -178.208 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.79 -33.77 64.69 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.776 1.231 . . . . 0.0 111.582 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.54 ' O ' HD13 ' A' ' 71' ' ' LEU . 2.4 t60 -68.26 -56.59 8.09 Favored 'General case' 0 CA--C 1.465 -2.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.501 -177.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 48.0 mtmt -70.91 -27.85 64.09 Favored 'General case' 0 N--CA 1.402 -2.849 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.646 -174.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 52.4 tttm -63.4 -37.91 89.1 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.677 169.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HD2' ' OE1' ' A' ' 73' ' ' GLN . 32.3 tpt180 -65.43 -30.78 71.62 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 67' ' ' HIS . 10.1 mp -73.53 -29.77 62.67 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.074 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 69' ' ' LYS . 17.6 tppt? -65.81 -39.99 91.42 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 173.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.404 ' OE1' ' HD2' ' A' ' 70' ' ' ARG . 96.1 mt-30 -71.88 -27.99 63.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.049 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 tp -76.08 -22.44 55.6 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 123.537 0.735 . . . . 0.0 111.28 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.0 m -65.21 149.32 50.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.198 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.42 -8.1 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 122.083 0.944 . . . . 0.0 110.083 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.0 156.96 90.47 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.779 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.8 120.76 7.56 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 123.235 2.623 . . . . 0.0 110.824 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.435 ' HB2' ' HB2' ' A' ' 83' ' ' GLU . 20.7 m-85 -78.9 -35.42 43.58 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.755 -170.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.2 m 72.36 -61.25 0.5 Allowed 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 125.316 1.446 . . . . 0.0 110.066 -173.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HG2' ' OE2' ' A' ' 82' ' ' GLU . 53.5 tt0 -98.53 149.16 23.02 Favored 'General case' 0 C--N 1.272 -2.761 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 175.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' OE2' ' HG2' ' A' ' 81' ' ' GLN . 2.6 mp0 64.06 32.26 12.97 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -169.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 79' ' ' TYR . 38.4 tt0 -159.53 -50.55 0.06 Allowed 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.523 -175.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -139.09 -48.93 0.5 Allowed 'General case' 0 CA--C 1.479 -1.753 0 CA-C-O 121.95 0.881 . . . . 0.0 112.133 -172.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.35 81.37 0.21 Allowed 'General case' 0 C--N 1.245 -3.94 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.812 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -110.84 99.58 8.47 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.11 -176.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.01 -57.61 0.91 Allowed 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 173.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.16 -35.73 0.31 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.144 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.91 -124.46 8.26 Favored Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.613 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -142.59 137.3 29.97 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -85.58 -123.17 1.29 Allowed Glycine 0 N--CA 1.441 -1.029 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.235 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -113.18 97.51 6.54 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.026 0.441 . . . . 0.0 110.989 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -87.77 82.1 7.43 Favored 'General case' 0 N--CA 1.406 -2.629 0 CA-C-O 122.43 1.11 . . . . 0.0 111.323 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.262 -3.214 0 CA-C-N 113.199 -1.819 . . . . 0.0 108.604 176.383 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.239 0.509 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -59.33 -163.96 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 124.322 3.348 . . . . 0.0 113.961 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -65.03 -2.4 2.7 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.39 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 70.75 40.83 0.95 Allowed 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 125.005 1.322 . . . . 0.0 113.487 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.64 101.59 10.73 Favored 'General case' 0 N--CA 1.401 -2.922 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -138.92 131.61 29.02 Favored 'General case' 0 C--N 1.267 -2.996 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.406 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 10.1 t70 -79.73 124.63 83.42 Favored Pre-proline 0 C--N 1.304 -1.374 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' ASP . 3.8 Cg_endo -80.82 -9.67 13.11 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 121.744 1.629 . . . . 0.0 114.302 -176.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -93.6 -31.38 14.53 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.21 126.94 53.21 Favored Pre-proline 0 C--N 1.31 -1.145 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.45 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -44.59 -63.43 0.33 Allowed 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 124.078 3.185 . . . . 0.0 117.419 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.61 52.96 4.8 Favored Glycine 0 CA--C 1.485 -1.827 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.436 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.07 22.02 54.39 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.48 48.71 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.395 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.06 -4.14 14.55 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.444 ' HB3' HD23 ' A' ' 58' ' ' LEU . 77.4 m-70 -128.87 102.4 6.52 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.614 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.91 147.9 37.82 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.204 179.719 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.687 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 18.2 t -96.73 116.01 28.41 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.57 -34.32 75.61 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.451 0.643 . . . . 0.0 110.571 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.26 66.86 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.661 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.1 m -109.88 -4.85 15.74 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 54.7 26.3 7.39 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.198 0.999 . . . . 0.0 111.787 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -129.35 152.82 48.49 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.321 0.581 . . . . 0.0 111.195 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.525 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 29.6 m-85 -108.2 143.19 37.35 Favored 'General case' 0 N--CA 1.408 -2.532 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.436 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 9.2 m-85 -122.12 162.23 21.64 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.6 pt -66.65 -31.24 52.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -177.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -150.44 169.82 20.55 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.551 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.4 t -75.67 -25.37 56.71 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 122.985 0.514 . . . . 0.0 111.206 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -68.1 -35.63 78.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.12 -41.27 98.07 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.604 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.2 mm? -62.1 -53.77 50.73 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.712 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -54.25 -43.47 70.95 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.139 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -68.87 -36.37 78.02 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.55 0.69 . . . . 0.0 110.194 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -62.08 -34.62 76.64 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.937 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.687 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 36.2 m-85 -85.76 -2.74 58.52 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.141 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -66.31 -18.22 65.22 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.731 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.9 m -64.62 105.58 1.0 Allowed 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -62.16 -30.08 70.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.144 -0.935 . . . . 0.0 113.235 -176.563 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.545 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.9 t70 -71.36 -30.81 66.6 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-O 121.359 0.6 . . . . 0.0 109.739 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.743 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 8.9 t60 -66.3 -56.2 12.35 Favored 'General case' 0 CA--C 1.469 -2.145 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.647 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 47.4 mtmt -68.46 -29.47 68.12 Favored 'General case' 0 N--CA 1.422 -1.852 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.017 -176.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 37.5 ttmt -60.64 -47.0 88.2 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.849 170.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 9.5 tpp180 -57.69 -41.47 81.72 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 60.7 mt -68.29 -42.57 79.28 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.206 -175.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 18.2 ptmt -72.8 -28.12 62.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 73.5 mm-40 -74.35 -32.93 62.97 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.079 0.466 . . . . 0.0 110.052 174.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 63.3 mt -73.46 -18.38 61.13 Favored 'General case' 0 N--CA 1.432 -1.336 0 C-N-CA 123.916 0.886 . . . . 0.0 111.885 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.5 m -64.18 143.97 57.48 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.3 -37.35 77.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.758 0.789 . . . . 0.0 109.183 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.68 112.85 54.29 Favored Pre-proline 0 N--CA 1.426 -1.654 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.399 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -84.45 29.61 0.54 Allowed 'Trans proline' 0 C--O 1.243 0.745 0 C-N-CA 122.833 2.355 . . . . 0.0 111.78 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -145.27 88.64 1.88 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.381 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 t -116.7 83.33 1.95 Allowed 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.884 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 64.92 3.41 2.07 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 125.278 1.431 . . . . 0.0 112.356 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -102.81 -2.52 27.84 Favored 'General case' 0 C--N 1.281 -2.398 0 CA-C-O 122.049 0.928 . . . . 0.0 108.591 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -95.23 -49.07 5.64 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -143.42 92.87 2.41 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.998 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -83.55 -34.27 25.26 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.225 -0.59 . . . . 0.0 109.973 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -92.26 85.29 5.38 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.339 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.22 86.97 0.54 Allowed 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.39 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.24 77.31 0.17 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.757 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -145.92 -131.69 2.31 Favored Glycine 0 N--CA 1.433 -1.536 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.758 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 67.92 12.54 8.86 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.781 0.832 . . . . 0.0 111.448 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.85 75.01 0.7 Allowed Glycine 0 N--CA 1.424 -2.108 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 p -77.22 151.08 35.33 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.407 -0.396 . . . . 0.0 110.868 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -120.04 135.04 55.08 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.288 -2.1 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.797 -179.35 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--O 1.239 0.507 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -64.71 129.81 24.55 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.586 2.19 . . . . 0.0 112.257 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 t30 49.68 69.35 0.61 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.076 0.95 . . . . 0.0 111.261 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.86 83.6 1.09 Allowed 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.577 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -148.67 -56.63 0.21 Allowed 'General case' 0 N--CA 1.413 -2.3 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 57.82 -159.28 0.27 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.253 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -116.99 129.58 25.22 Favored Pre-proline 0 C--N 1.299 -1.618 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.77 -2.34 11.79 Favored 'Trans proline' 0 C--O 1.247 0.936 0 C-N-CA 122.382 2.055 . . . . 0.0 114.533 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -99.06 -31.81 11.59 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -110.85 113.84 54.83 Favored Pre-proline 0 N--CA 1.433 -1.278 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.08 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.79 125.85 19.36 Favored 'Trans proline' 0 C--O 1.247 0.943 0 C-N-CA 123.468 2.779 . . . . 0.0 112.032 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.35 23.45 77.93 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.549 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.31 6.95 76.91 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.6 3.51 86.84 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.729 -0.549 . . . . 0.0 111.729 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.91 -2.06 58.37 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.298 0.639 . . . . 0.0 112.037 -175.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 79.3 m-70 -134.26 103.8 5.9 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -147.12 148.37 31.52 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.94 0.876 . . . . 0.0 112.908 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.647 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 22.0 t -95.91 116.14 28.48 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 172.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.8 -34.75 78.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 123.386 0.429 . . . . 0.0 110.989 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.34 -17.79 64.97 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.137 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 75.6 m -115.87 -10.6 11.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 58.58 24.82 12.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.607 0.763 . . . . 0.0 111.525 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.6 mmt180 -118.49 151.32 38.05 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.815 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -105.43 154.02 20.9 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 123.676 0.79 . . . . 0.0 109.247 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.464 ' CD1' HD23 ' A' ' 58' ' ' LEU . 71.4 m-85 -129.23 146.96 51.03 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.86 -22.57 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -174.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.56 151.51 37.44 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.486 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.5 t -59.9 -34.75 73.61 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 123.211 0.604 . . . . 0.0 110.776 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.6 m -63.66 -37.61 88.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.738 0.304 . . . . 0.0 110.194 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -65.55 -42.09 92.29 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 121.323 0.582 . . . . 0.0 110.494 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -64.96 -50.7 65.36 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.746 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 55' ' ' SER . 75.2 mmtt -59.37 -43.61 92.83 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.446 177.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.0 m -61.83 -32.77 73.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.496 0.665 . . . . 0.0 110.38 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 49.8 t60 -59.82 -28.8 67.78 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.991 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.696 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 18.9 m-85 -91.81 -25.98 18.75 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.131 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -65.58 -12.51 53.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.088 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.9 m -73.34 99.69 2.99 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 167.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -54.32 -27.12 33.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.66 -38.12 69.18 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.733 0.646 . . . . 0.0 110.979 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 2.3 t60 -67.24 -56.74 8.57 Favored 'General case' 0 CA--C 1.446 -3.048 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.716 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.696 ' HD3' ' HB3' ' A' ' 62' ' ' PHE 0.269 53.9 mtmt -67.94 -27.92 67.03 Favored 'General case' 0 N--CA 1.4 -2.953 0 O-C-N 124.038 0.836 . . . . 0.0 111.464 -174.629 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.78 -45.09 79.57 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.026 170.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -64.5 -31.37 72.56 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.797 0.808 . . . . 0.0 109.043 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 20.1 tp -69.88 -37.6 76.09 Favored 'General case' 0 N--CA 1.399 -2.993 0 C-N-CA 125.818 1.647 . . . . 0.0 109.424 -175.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 3.5 mmmp? -71.35 -40.79 70.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.665 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -73.91 -31.06 62.91 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.786 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 74' ' ' LEU . 6.1 tt -75.99 -30.42 58.54 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.8 t 73.21 179.03 0.23 Allowed 'General case' 0 C--O 1.241 0.645 0 C-N-CA 124.743 1.217 . . . . 0.0 110.993 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.95 -62.3 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.74 -176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 33.7 tt0 66.88 105.19 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.493 0 O-C-N 124.397 1.06 . . . . 0.0 108.938 -172.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.586 ' O ' ' HA ' ' A' ' 83' ' ' GLU . 6.8 Cg_exo -71.8 30.55 0.25 Allowed 'Trans proline' 0 N--CA 1.483 0.907 0 C-N-CA 123.365 2.71 . . . . 0.0 116.089 -172.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -88.39 87.8 7.41 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-O 122.056 0.932 . . . . 0.0 113.126 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.2 t -132.7 112.6 12.14 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.489 ' HG3' ' HB3' ' A' ' 84' ' ' ALA 0.352 27.5 pt20 46.35 69.76 0.45 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.282 1.033 . . . . 0.0 113.768 -173.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 57.38 63.03 1.97 Allowed 'General case' 0 C--O 1.248 0.976 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.984 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 78' ' ' PRO . 12.1 pt-20 47.26 30.11 1.39 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.484 1.514 . . . . 0.0 114.212 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.489 ' HB3' ' HG3' ' A' ' 81' ' ' GLN . . . -77.64 16.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.552 0.691 . . . . 0.0 112.381 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -85.03 -51.5 6.63 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.592 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.611 ' HE ' ' HA ' ' A' ' 86' ' ' ARG . 2.5 mmp_? -98.77 5.81 47.3 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.354 0.597 . . . . 0.0 110.124 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . . . -107.02 23.67 14.04 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.059 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.04 -4.2 40.03 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.555 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.96 16.82 78.29 Favored Glycine 0 C--O 1.236 0.268 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.693 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.0 ptp -173.21 165.37 4.86 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.557 -1.645 . . . . 0.0 106.557 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.14 -112.78 0.27 Allowed Glycine 0 N--CA 1.429 -1.815 0 C-N-CA 119.5 -1.333 . . . . 0.0 112.695 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.1 m 62.56 88.86 0.09 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.054 0.942 . . . . 0.0 110.092 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -131.65 124.81 30.66 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 121.47 0.652 . . . . 0.0 111.664 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.417 -2.123 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.11 177.802 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -49.19 118.91 3.93 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 123.186 2.591 . . . . 0.0 113.208 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 47.9 81.41 0.05 OUTLIER 'General case' 0 C--O 1.248 0.991 0 CA-C-N 114.418 -1.265 . . . . 0.0 112.662 -174.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.56 92.62 0.89 Allowed 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.444 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.77 -21.6 57.26 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.497 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 50.6 p90 -88.0 141.3 28.68 Favored 'General case' 0 N--CA 1.42 -1.952 0 CA-C-N 113.639 -1.619 . . . . 0.0 108.833 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' A' ' 36' ' ' ASP . 15.9 t70 -61.64 123.69 78.01 Favored Pre-proline 0 C--N 1.315 -0.892 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.59 -12.91 29.7 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.603 2.202 . . . . 0.0 113.806 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.459 ' HB3' ' OD1' ' A' ' 34' ' ' ASP . 23.5 t70 -89.75 -25.14 21.3 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.52 0.676 . . . . 0.0 109.976 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -96.98 145.95 30.47 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.465 174.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.85 111.27 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.118 1.879 . . . . 0.0 110.32 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.58 29.08 73.58 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.497 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 66.91 8.26 47.63 Favored Glycine 0 CA--C 1.5 -0.88 0 CA-C-N 115.332 -0.434 . . . . 0.0 112.462 -178.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.72 16.48 65.85 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.61 -28.33 21.97 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 121.571 0.701 . . . . 0.0 109.665 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 86.4 m-70 -98.38 92.8 5.85 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -142.9 144.79 32.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-O 122.325 1.06 . . . . 0.0 113.858 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.674 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 17.5 t -96.98 117.82 32.01 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 113.601 -1.636 . . . . 0.0 107.222 172.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.97 -35.34 80.86 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.389 0.614 . . . . 0.0 110.376 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.77 64.96 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.194 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 73.1 m -116.29 -14.78 11.05 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.29 17.17 8.01 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.987 0.915 . . . . 0.0 111.903 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 59.2 mtt180 -105.72 152.36 23.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.743 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.91 137.5 42.58 Favored 'General case' 0 N--CA 1.409 -2.519 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CD1' HD23 ' A' ' 58' ' ' LEU . 64.1 m-85 -112.65 146.65 38.27 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.731 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.3 pt -69.9 -33.14 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.881 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -139.07 147.93 42.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.262 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t -59.33 -33.98 71.8 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 124.089 0.956 . . . . 0.0 111.316 -178.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 m -65.1 -37.41 87.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -65.82 -43.74 87.67 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.599 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -63.98 -48.25 77.16 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.847 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HE3' ' OG ' ' A' ' 55' ' ' SER . 98.9 mttt -60.52 -42.23 96.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.695 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 99.1 m -60.13 -32.25 70.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 122.011 0.91 . . . . 0.0 109.746 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 73.8 t60 -62.47 -27.91 69.45 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.635 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.674 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -103.47 -7.78 20.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.347 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 60' ' ' THR . 39.5 ptt180 -67.85 -16.35 64.05 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.422 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 m -78.02 106.59 9.99 Favored 'General case' 0 N--CA 1.418 -2.069 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -58.64 -28.74 65.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.354 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.65 -36.2 64.32 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.998 0.919 . . . . 0.0 111.541 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.55 ' O ' HD13 ' A' ' 71' ' ' LEU . 3.0 t60 -66.45 -56.57 10.31 Favored 'General case' 0 CA--C 1.476 -1.887 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.474 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 49.5 mtmt -70.15 -28.19 65.14 Favored 'General case' 0 C--N 1.274 -2.711 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -174.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.43 -41.77 98.69 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.055 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.61 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 23.8 tpt180 -58.31 -35.63 72.14 Favored 'General case' 0 C--O 1.205 -1.242 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 67' ' ' HIS . 9.2 mp -65.79 -39.39 90.93 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 123.683 0.793 . . . . 0.0 111.267 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.11 -38.59 82.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -63.34 -42.01 98.92 Favored 'General case' 0 N--CA 1.426 -1.672 0 C-N-CA 123.86 0.864 . . . . 0.0 109.366 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 72.0 mt -62.56 -33.85 75.77 Favored 'General case' 0 N--CA 1.425 -1.697 0 C-N-CA 123.451 0.701 . . . . 0.0 111.18 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.5 m -91.57 85.51 5.73 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-O 121.261 0.553 . . . . 0.0 110.566 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.3 m -87.17 -34.84 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.739 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.078 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.525 ' HB2' ' HD3' ' A' ' 78' ' ' PRO . 16.4 mp0 -51.53 -53.9 45.04 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 123.832 0.707 . . . . 0.0 112.329 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 77' ' ' GLU . 7.6 Cg_endo -90.74 106.85 0.31 Allowed 'Trans proline' 0 N--CA 1.438 -1.769 0 C-N-CA 121.557 1.505 . . . . 0.0 110.385 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -86.06 155.44 20.82 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.747 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -103.49 156.56 17.67 Favored 'General case' 0 N--CA 1.396 -3.15 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.71 73.29 6.43 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-O 122.353 1.073 . . . . 0.0 113.288 -175.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.66 -24.49 0.93 Allowed 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.405 171.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -93.89 -24.52 17.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 170.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.81 158.22 16.45 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.49 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 71.32 98.34 0.07 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 124.873 1.269 . . . . 0.0 111.327 -176.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -131.09 147.18 52.59 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.249 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.67 -23.08 20.86 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.956 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 70.67 101.42 0.06 Allowed 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.345 1.058 . . . . 0.0 110.015 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -45.16 111.65 0.6 Allowed Glycine 0 C--O 1.238 0.38 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.057 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.25 163.21 8.62 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.4 35.52 2.4 Favored Glycine 0 N--CA 1.432 -1.589 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.5 p -88.71 141.32 28.61 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-O 121.034 0.445 . . . . 0.0 110.615 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -157.3 145.57 19.33 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.28 14.8 p . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 125.044 1.337 . . . . 0.0 113.736 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 CA--C 1.495 -1.14 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.38 161.28 20.7 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.453 2.102 . . . . 0.0 110.116 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -54.82 -20.65 9.09 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.052 0.941 . . . . 0.0 112.712 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 64.88 76.44 0.34 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.042 0.937 . . . . 0.0 112.785 171.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -76.99 -25.45 52.75 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.819 0.819 . . . . 0.0 110.259 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -81.52 151.71 27.64 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.901 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.481 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 15.4 t70 -112.93 114.91 48.79 Favored Pre-proline 0 C--N 1.303 -1.427 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 175.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.77 -10.44 27.76 Favored 'Trans proline' 0 N--CA 1.475 0.434 0 C-N-CA 122.65 2.233 . . . . 0.0 113.562 -174.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -90.74 -29.73 17.48 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 121.299 0.571 . . . . 0.0 109.885 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.6 mt -79.4 144.58 62.07 Favored Pre-proline 0 C--N 1.304 -1.404 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.865 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.22 121.54 10.23 Favored 'Trans proline' 0 C--O 1.246 0.882 0 C-N-CA 122.715 2.277 . . . . 0.0 112.06 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.39 27.29 73.73 Favored Glycine 0 C--O 1.245 0.836 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 34' ' ' ASP . . . 72.94 6.82 68.79 Favored Glycine 0 C--O 1.244 0.719 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.38 6.01 79.13 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.33 -35.45 15.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 120.828 0.347 . . . . 0.0 111.848 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 81.3 m-70 -94.36 94.32 8.21 Favored 'General case' 0 CA--C 1.478 -1.811 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -140.7 156.37 46.23 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.968 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.504 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 32.7 t -95.34 117.36 30.17 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.37 -44.39 97.25 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 123.822 0.701 . . . . 0.0 111.181 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -24.96 67.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.276 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.5 m -99.69 -16.72 18.07 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 120.488 -0.485 . . . . 0.0 112.176 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.46 21.87 10.34 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.098 0.959 . . . . 0.0 111.341 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -105.02 146.31 29.24 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -104.7 141.1 37.06 Favored 'General case' 0 N--CA 1.417 -2.106 0 O-C-N 123.894 0.746 . . . . 0.0 109.727 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' HD23 ' A' ' 58' ' ' LEU . 72.4 m-85 -121.23 146.77 46.46 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.2 pt -65.58 -23.19 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 O-C-N 123.754 0.659 . . . . 0.0 112.578 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.51 166.31 32.38 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 120.718 0.294 . . . . 0.0 110.671 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.53 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 36.4 t -72.76 -25.54 61.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.807 -177.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 m -70.61 -43.88 68.39 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.17 -45.8 86.84 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.231 0.539 . . . . 0.0 110.442 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.978 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.058 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.2 m -66.44 -31.23 71.86 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.706 0.765 . . . . 0.0 109.781 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.557 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 40.1 t60 -60.18 -28.43 67.94 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.951 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.663 ' O ' ' HD2' ' A' ' 68' ' ' LYS . 19.9 m-85 -91.92 12.98 19.86 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.563 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.85 -18.49 64.16 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.947 174.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -79.02 99.54 6.93 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -65.07 -25.31 67.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.274 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 11.6 t70 -56.96 -39.63 74.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.968 0.889 . . . . 0.0 109.444 176.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.538 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 10.2 t60 -66.59 -45.36 79.47 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.041 -178.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 27.9 mtpp -68.29 -28.71 67.42 Favored 'General case' 0 C--N 1.27 -2.882 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.619 -175.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 59.0 tttp -60.26 -45.11 94.42 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.248 170.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -62.51 -36.14 81.61 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 80.1 mt -70.89 -35.77 72.46 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.132 -177.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -66.14 -49.54 67.09 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.043 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -72.51 -19.51 61.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.832 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 74' ' ' LEU . 6.4 tt -57.74 -22.89 49.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.932 1.293 . . . . 0.0 111.356 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.2 m -60.16 -30.9 69.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.125 0.488 . . . . 0.0 110.527 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.1 t -108.47 -44.38 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.124 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.584 ' OE1' ' HD2' ' A' ' 78' ' ' PRO . 9.2 tp10 -78.98 111.61 21.23 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.584 ' HD2' ' OE1' ' A' ' 77' ' ' GLU . 12.8 Cg_exo -32.66 144.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.511 1 C-N-CA 126.06 4.507 . . . . 0.0 117.854 -176.05 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 83' ' ' GLU . 17.2 t80 -92.5 166.11 12.69 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 p -78.55 76.76 5.05 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 53.0 tp60 60.48 40.68 16.8 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.724 0.774 . . . . 0.0 110.607 176.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 60.98 23.65 13.78 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.577 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 32.8 tt0 70.63 79.96 0.17 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 125.667 1.587 . . . . 0.0 107.266 -175.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 81' ' ' GLN . . . -54.94 127.23 27.85 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.846 -175.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 56.34 81.75 0.12 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -173.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.411 ' C ' ' H ' ' A' ' 88' ' ' ALA . 30.6 ttt180 -90.06 128.43 36.29 Favored 'General case' 0 N--CA 1.408 -2.569 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.207 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.29 17.26 0.5 Allowed 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 124.648 1.179 . . . . 0.0 111.275 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 86' ' ' ARG . . . -133.92 80.97 1.89 Allowed 'General case' 0 N--CA 1.41 -2.425 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.2 109.26 2.06 Favored Glycine 0 N--CA 1.425 -2.041 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.504 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.8 ttm -122.53 123.87 42.24 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.5 -37.53 0.09 OUTLIER Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.82 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.5 p -63.86 136.32 57.29 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.266 0.555 . . . . 0.0 111.176 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -83.06 143.84 30.31 Favored 'General case' 0 N--CA 1.407 -2.588 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.344 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.295 -1.795 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 177.838 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.36 140.05 81.94 Favored 'Trans proline' 0 C--N 1.361 1.208 0 C-N-CA 122.715 2.277 . . . . 0.0 111.261 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 t30 70.55 -22.45 0.18 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.688 1.195 . . . . 0.0 113.467 -177.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.99 78.13 1.16 Allowed 'General case' 0 N--CA 1.422 -1.872 0 CA-C-O 121.845 0.831 . . . . 0.0 111.874 -176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -118.98 -64.62 1.26 Allowed 'General case' 0 N--CA 1.41 -2.43 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 172.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 58.3 -162.35 0.22 Allowed 'General case' 0 C--O 1.242 0.678 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.034 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -79.9 132.55 60.32 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.63 -15.35 24.45 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.219 1.946 . . . . 0.0 114.061 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -87.68 -30.85 20.08 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.371 0.605 . . . . 0.0 109.445 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 3.0 mm? -98.68 116.41 65.39 Favored Pre-proline 0 C--N 1.307 -1.258 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.618 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 17.3 Cg_exo -65.52 127.02 17.21 Favored 'Trans proline' 0 C--O 1.246 0.894 0 C-N-CA 123.059 2.506 . . . . 0.0 110.635 177.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.36 78.45 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 7.6 60.91 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.377 -0.411 . . . . 0.0 112.158 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 73.53 7.35 73.42 Favored Glycine 0 N--CA 1.439 -1.162 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.36 -24.66 29.62 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.197 0.523 . . . . 0.0 111.166 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 66.8 m-70 -108.32 93.06 4.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -174.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -128.9 145.71 51.14 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.588 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.659 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 5.4 t -97.2 118.05 32.77 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 167.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.46 -36.82 81.49 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.1 -18.12 63.94 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.197 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.5 m -109.88 -23.72 11.22 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.26 20.97 12.16 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.247 1.019 . . . . 0.0 110.987 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -115.13 168.73 9.68 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.503 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.409 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 98.4 m-85 -105.56 156.74 17.95 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.424 -172.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE1' HD23 ' A' ' 58' ' ' LEU . 85.2 m-85 -136.52 146.93 46.78 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 pt -79.18 -15.89 13.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -136.3 152.3 50.54 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -73.87 -30.37 62.6 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 173.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 m -62.47 -37.61 86.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.99 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -68.26 -44.19 76.14 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.114 0.483 . . . . 0.0 110.637 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.632 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.2 tm? -62.21 -49.63 74.98 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -62.13 -39.43 92.52 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.2 m -66.97 -29.8 69.75 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.803 0.811 . . . . 0.0 109.29 176.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 61.7 t60 -56.27 -28.13 57.58 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.606 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.659 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 10.7 m-85 -100.77 11.79 38.84 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 119.054 -1.059 . . . . 0.0 109.787 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.33 -31.17 69.43 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 m -71.78 117.11 12.95 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.556 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.71 -34.43 77.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.527 0.731 . . . . 0.0 112.663 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.78 -42.61 71.95 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.032 0.533 . . . . 0.0 112.217 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' O ' HD13 ' A' ' 71' ' ' LEU . 6.3 t60 -63.09 -55.84 21.95 Favored 'General case' 0 CA--C 1.47 -2.116 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.039 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 49.5 mtpt -64.92 -29.34 70.27 Favored 'General case' 0 C--N 1.277 -2.556 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.154 -175.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -60.01 -41.3 91.82 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.459 172.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -60.69 -34.12 73.88 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -179.323 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 67' ' ' HIS . 10.3 mp -74.95 -41.68 59.16 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 68' ' ' LYS . 55.8 mtpt -62.13 -39.54 92.91 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.415 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -78.17 -22.12 49.16 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.8 tt -73.62 -42.33 61.61 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.681 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.2 m -174.28 105.91 0.11 Allowed 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -175.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.436 HG12 ' HG3' ' A' ' 77' ' ' GLU . 62.0 t -141.3 -60.74 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 169.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HG3' HG12 ' A' ' 76' ' ' VAL . 41.9 mt-10 -134.8 144.38 50.34 Favored Pre-proline 0 C--N 1.304 -1.41 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -48.03 112.03 0.52 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.663 2.242 . . . . 0.0 111.602 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -129.15 156.73 43.44 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -173.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -147.98 179.96 7.35 Favored 'General case' 0 N--CA 1.416 -2.144 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.779 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 56.5 mt-30 -79.91 87.98 5.32 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.067 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -153.07 -63.38 0.15 Allowed 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.76 -46.31 31.56 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.64 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -97.53 105.45 17.6 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 175.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 64.67 86.66 0.12 Allowed 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 124.032 0.933 . . . . 0.0 111.863 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -65.03 -38.64 91.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.98 -62.55 0.32 Allowed 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 171.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 168.05 -52.88 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 127.124 2.17 . . . . 0.0 105.359 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.91 157.21 28.95 Favored Glycine 0 N--CA 1.419 -2.438 0 N-CA-C 107.049 -2.42 . . . . 0.0 107.049 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.96 110.76 11.92 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 118.447 1.123 . . . . 0.0 108.884 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.36 116.02 0.69 Allowed Glycine 0 N--CA 1.417 -2.609 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.2 p -80.46 91.4 5.73 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.573 0.702 . . . . 0.0 111.442 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -102.88 133.63 47.66 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.825 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.289 -2.022 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.533 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 CA--C 1.512 -0.482 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.91 -173.77 1.9 Allowed 'Trans proline' 0 CA--C 1.511 -0.661 0 C-N-CA 122.583 2.188 . . . . 0.0 111.562 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -61.18 -29.1 69.6 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-O 121.375 0.607 . . . . 0.0 109.844 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 57.47 26.96 13.29 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 125.075 1.35 . . . . 0.0 112.043 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -77.43 -40.47 43.25 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.668 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.408 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 49.8 p90 -67.71 155.13 39.95 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.078 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 12.4 t70 -77.62 132.52 68.54 Favored Pre-proline 0 C--N 1.309 -1.16 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -87.13 -11.49 5.28 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.076 1.851 . . . . 0.0 114.26 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -86.07 -34.08 20.79 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' HB3' ' CA ' ' A' ' 41' ' ' GLY . 3.7 mm? -88.51 145.68 35.94 Favored Pre-proline 0 C--N 1.299 -1.63 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.679 176.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.54 -79.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 123.133 2.555 . . . . 0.0 115.809 -174.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 56.29 2.62 Favored Glycine 0 CA--C 1.478 -2.238 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 34' ' ' ASP . . . 65.6 11.39 53.29 Favored Glycine 0 N--CA 1.435 -1.414 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -175.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' CA ' ' HB3' ' A' ' 37' ' ' LEU . . . 70.6 -7.77 4.81 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.491 -0.354 . . . . 0.0 113.194 -173.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.99 -30.65 24.04 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.841 0.321 . . . . 0.0 111.861 -175.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 55' ' ' SER . 43.6 m80 -84.16 85.07 7.4 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -140.74 148.55 40.89 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.376 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.655 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.8 t -96.09 116.98 29.8 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.76 -34.59 78.69 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.15 -23.3 67.08 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.649 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -107.78 -19.24 13.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.06 22.57 12.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.228 0.611 . . . . 0.0 110.212 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HA ' ' HE ' ' A' ' 50' ' ' ARG . 5.0 mmp_? -104.51 148.83 26.03 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -105.54 134.83 48.01 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.831 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.493 ' CD1' HD23 ' A' ' 58' ' ' LEU . 55.4 m-85 -114.57 151.12 33.93 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.42 -31.67 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -148.2 174.84 11.57 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.299 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.42 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 32.6 t -78.06 -26.42 48.23 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.3 m -67.89 -44.88 75.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -62.67 -46.46 88.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.252 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -63.82 -47.5 80.56 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.683 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.31 -39.04 85.54 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.4 m -62.1 -33.4 74.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.132 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 68.5 t60 -62.14 -30.34 70.97 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.511 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.655 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 20.9 m-85 -95.25 -2.6 49.16 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 118.462 -1.295 . . . . 0.0 109.739 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -71.04 -17.88 62.59 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.4 m -71.24 97.5 1.56 Allowed 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 170.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.598 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -59.48 -26.37 65.2 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -175.124 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.476 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 22.8 t70 -66.6 -32.04 73.11 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.505 ' O ' HD13 ' A' ' 71' ' ' LEU . 6.7 t60 -62.44 -56.17 20.77 Favored 'General case' 0 C--O 1.197 -1.689 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.407 -177.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.588 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 50.3 mtpt -66.76 -29.39 69.33 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-O 121.269 0.557 . . . . 0.0 110.382 -175.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HE2' ' HA ' ' A' ' 66' ' ' ASP . 34.2 ttpt -69.83 -35.68 74.98 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.623 171.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 70' ' ' ARG . 2.4 tpt180 -65.63 -27.7 68.58 Favored 'General case' 0 C--O 1.195 -1.77 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 67' ' ' HIS . 9.4 mp -66.48 -31.73 72.66 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 124.185 0.994 . . . . 0.0 112.236 177.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 76' ' ' VAL . 58.1 tptt -65.62 -48.99 70.38 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 173.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.69 -29.68 70.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.87 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 67.5 tp -63.78 -26.5 68.66 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.65 1.18 . . . . 0.0 110.451 176.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.2 m -90.19 0.73 57.05 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.92 0.867 . . . . 0.0 110.11 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.1 t -118.75 9.36 6.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 73.3 106.56 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.361 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.927 -176.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 54.9 Cg_endo -70.63 115.03 4.04 Favored 'Trans proline' 0 C--O 1.249 1.07 0 C-N-CA 122.185 1.923 . . . . 0.0 111.798 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -79.86 97.95 6.89 Favored 'General case' 0 N--CA 1.426 -1.674 0 CA-C-O 121.945 0.878 . . . . 0.0 112.617 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.4 t -123.79 126.02 45.73 Favored 'General case' 0 N--CA 1.406 -2.661 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . 0.34 0.5 OUTLIER 49.98 23.52 1.11 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.72 1.208 . . . . 0.0 113.31 -172.357 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 64.09 20.8 12.35 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 123.973 0.909 . . . . 0.0 111.326 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 62.11 82.49 0.17 Allowed 'General case' 0 C--O 1.252 1.214 0 CA-C-O 122.38 1.086 . . . . 0.0 109.469 -173.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -133.44 108.21 8.52 Favored 'General case' 0 N--CA 1.413 -2.294 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.686 -175.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.47 -39.85 2.97 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.718 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -104.92 98.92 8.57 Favored 'General case' 0 N--CA 1.417 -2.112 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.046 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.07 -26.31 20.33 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 60.78 21.76 11.81 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.444 -1.253 . . . . 0.0 111.491 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -83.75 78.88 1.96 Allowed Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.88 -35.29 51.02 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.64 -69.65 3.16 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.896 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -147.81 134.56 20.01 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 122.822 0.449 . . . . 0.0 110.03 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -139.01 111.16 7.36 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.552 0.691 . . . . 0.0 109.85 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 81.3 t . . . . . 0 C--N 1.266 -3.063 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.546 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.464 0.275 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.28 -172.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.981 2.454 . . . . 0.0 114.291 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' OD1' ' HB2' ' A' ' 32' ' ' GLU . 27.1 t-20 -51.07 -42.09 60.35 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.647 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 64.81 36.87 7.64 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HB2' ' OD1' ' A' ' 30' ' ' ASN . 12.0 tp10 -66.42 -27.03 67.52 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 174.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.625 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 40.8 p90 -100.06 147.68 25.38 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-N 113.401 -1.727 . . . . 0.0 109.176 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -90.06 128.29 50.31 Favored Pre-proline 0 C--N 1.308 -1.232 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -65.11 -23.82 60.09 Favored 'Trans proline' 0 C--O 1.241 0.669 0 C-N-CA 122.52 2.146 . . . . 0.0 115.319 -174.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.7 -26.72 21.67 Favored 'General case' 0 CA--C 1.502 -0.901 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.137 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 8.7 mp -80.46 129.43 69.0 Favored Pre-proline 0 C--N 1.295 -1.773 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.494 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 37.0 Cg_exo -59.13 124.63 16.05 Favored 'Trans proline' 0 C--O 1.244 0.782 0 C-N-CA 122.752 2.302 . . . . 0.0 111.089 177.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.56 18.15 79.33 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.625 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 74.2 3.43 65.27 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.763 -0.719 . . . . 0.0 111.73 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.57 7.41 79.26 Favored Glycine 0 N--CA 1.432 -1.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -173.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -90.09 -18.91 25.01 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.438 0.637 . . . . 0.0 110.113 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.538 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 74.6 m-70 -120.96 96.22 5.02 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -138.33 150.05 46.22 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.562 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.1 t -96.53 116.06 28.46 Favored 'General case' 0 C--N 1.274 -2.702 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 169.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.5 -34.11 76.45 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.066 0.46 . . . . 0.0 111.141 -174.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -22.89 65.1 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.557 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.43 -18.86 13.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 65.89 25.8 11.13 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.687 0.795 . . . . 0.0 112.104 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -104.21 149.93 24.84 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.258 0.552 . . . . 0.0 110.192 176.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -105.76 123.56 48.14 Favored 'General case' 0 N--CA 1.407 -2.58 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.492 ' HB2' HD22 ' A' ' 58' ' ' LEU . 29.8 m-85 -115.63 151.04 35.73 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.7 mm -60.74 -33.86 56.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -152.43 162.89 40.56 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.947 -176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.538 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 33.5 t -66.97 -23.76 65.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 110.07 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.4 m -64.65 -32.99 74.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -70.74 -40.7 72.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.0 mm? -60.21 -53.24 60.06 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.331 174.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -54.74 -41.27 70.18 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 124.214 0.946 . . . . 0.0 110.614 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.431 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 86.0 m -63.3 -40.51 97.56 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.433 0.635 . . . . 0.0 110.046 174.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.83 -38.46 91.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.791 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.645 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 33.3 m-85 -86.53 14.38 6.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.058 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 14.6 mmm180 -70.53 -16.49 62.89 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.098 173.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.1 m -71.49 98.02 1.76 Allowed 'General case' 0 N--CA 1.411 -2.393 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.53 -34.3 75.63 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.915 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.45 -31.93 69.76 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.846 0.831 . . . . 0.0 109.756 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.451 ' O ' HD13 ' A' ' 71' ' ' LEU . 52.4 t60 -69.06 -54.96 12.32 Favored 'General case' 0 CA--C 1.488 -1.421 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.612 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.645 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 27.4 mtpp -62.78 -32.74 73.96 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.75 -179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.512 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 81.2 tttt -59.47 -49.29 78.36 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.775 173.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 27.0 tpt180 -60.32 -38.41 83.61 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 121.415 0.626 . . . . 0.0 109.809 -177.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 67' ' ' HIS . 11.2 mp -72.26 -34.03 67.93 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.299 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -74.01 -26.99 60.74 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.474 0.654 . . . . 0.0 109.989 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 28.0 mm-40 -70.85 -30.83 67.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.619 0.723 . . . . 0.0 109.271 174.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 86.9 mt -77.13 -32.43 56.43 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.785 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.8 p -140.87 102.6 4.31 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.486 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.71 -73.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 123.597 0.561 . . . . 0.0 111.185 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -120.58 113.51 33.4 Favored Pre-proline 0 N--CA 1.434 -1.235 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 173.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -95.1 40.92 0.15 Allowed 'Trans proline' 0 C--O 1.239 0.557 0 C-N-CA 123.283 2.655 . . . . 0.0 111.638 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 72.41 100.49 0.07 Allowed 'General case' 0 CA--C 1.487 -1.476 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.186 -171.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.1 t -99.26 162.08 13.25 Favored 'General case' 0 N--CA 1.383 -3.782 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -81.77 72.49 8.82 Favored 'General case' 0 C--N 1.276 -2.587 0 CA-C-O 122.418 1.104 . . . . 0.0 110.485 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -148.86 -45.57 0.15 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.56 -72.42 0.14 Allowed 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 168.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 46.32 -165.0 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.117 1.367 . . . . 0.0 114.008 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -98.67 -21.9 16.19 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 67.66 20.46 9.57 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.842 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.96 84.5 1.22 Allowed 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.02 -6.6 2.36 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.508 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.31 39.85 0.66 Allowed Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.648 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -112.08 124.75 53.08 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -153.71 49.26 0.51 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.727 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.9 m -93.98 127.09 39.57 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 122.824 -0.221 . . . . 0.0 110.411 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 t80 65.64 137.74 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.86 1.264 . . . . 0.0 113.576 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.307 -1.269 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.267 178.024 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.593 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 5.1 m-20 . . . . . 0 CA--C 1.551 1.015 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 28' ' ' ASP . 7.6 Cg_endo -54.1 132.61 51.1 Favored 'Trans proline' 0 C--N 1.393 2.908 0 CA-C-N 122.881 2.065 . . . . 0.0 111.155 175.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 71.03 -31.89 0.23 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 125.483 1.513 . . . . 0.0 112.539 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.87 78.42 1.19 Allowed 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -72.98 -76.95 0.11 Allowed 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.032 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 54.67 -160.25 0.16 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.922 0.889 . . . . 0.0 109.629 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -111.09 130.94 22.46 Favored Pre-proline 0 C--N 1.306 -1.3 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.74 2.26 7.69 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 121.655 1.57 . . . . 0.0 115.236 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -106.65 -32.43 8.02 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.89 134.2 19.95 Favored Pre-proline 0 CA--C 1.498 -1.036 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -58.0 103.32 0.14 Allowed 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.247 1.965 . . . . 0.0 112.337 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.578 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 68.41 20.33 73.44 Favored Glycine 0 CA--C 1.494 -1.267 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.752 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.82 11.8 63.61 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.509 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 72.61 8.89 73.11 Favored Glycine 0 N--CA 1.433 -1.549 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.99 -15.76 43.16 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.088 0.555 . . . . 0.0 111.707 -175.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 84.9 m-70 -122.43 101.02 7.25 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -144.05 156.26 44.31 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 121.64 0.733 . . . . 0.0 112.084 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.558 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 15.4 t -95.57 119.13 33.53 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.56 -37.52 86.49 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.226 0.536 . . . . 0.0 110.581 -177.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.49 64.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.016 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.18 -15.01 11.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.43 13.95 5.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.487 1.115 . . . . 0.0 112.11 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -104.64 152.47 22.42 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 55.5 m-85 -104.45 150.36 24.62 Favored 'General case' 0 N--CA 1.414 -2.265 0 O-C-N 123.825 0.703 . . . . 0.0 109.364 -174.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CE1' HD23 ' A' ' 58' ' ' LEU . 68.4 m-85 -128.87 146.63 50.89 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.578 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -61.64 -37.45 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.477 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -140.53 154.89 46.72 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 29.8 t -61.12 -28.73 69.31 Favored 'General case' 0 C--O 1.206 -1.206 0 O-C-N 123.39 0.431 . . . . 0.0 111.09 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.7 m -62.39 -38.15 88.53 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.18 0.514 . . . . 0.0 110.226 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -71.56 -38.1 71.0 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -67.66 -48.22 67.26 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.125 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.83 -43.5 77.06 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 123.994 0.918 . . . . 0.0 111.407 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.9 m -62.78 -30.22 71.29 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.52 0.676 . . . . 0.0 110.437 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 45.9 t60 -61.03 -30.82 70.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.473 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.9 m-85 -90.58 12.56 18.43 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 118.101 -1.44 . . . . 0.0 110.543 -178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.33 10.87 9.46 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 122.127 0.965 . . . . 0.0 110.617 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 t -97.07 109.69 22.39 Favored 'General case' 0 N--CA 1.412 -2.336 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -61.0 -42.25 98.1 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.1 -31.87 65.72 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 121.649 0.738 . . . . 0.0 111.422 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.534 ' O ' HD13 ' A' ' 71' ' ' LEU . 5.3 t60 -66.98 -56.45 10.11 Favored 'General case' 0 CA--C 1.479 -1.768 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.431 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 48.6 mtpt -67.43 -28.57 68.01 Favored 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.238 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.06 -45.57 92.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.54 171.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -60.44 -33.78 73.04 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 121.833 0.825 . . . . 0.0 109.393 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 67' ' ' HIS . 10.1 mp -72.09 -35.43 69.21 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.371 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -65.32 -41.32 94.11 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.248 0.546 . . . . 0.0 109.831 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -75.31 -21.3 58.55 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.727 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 58.8 tp -66.15 -18.12 65.15 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.909 0.884 . . . . 0.0 111.681 177.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -54.31 160.17 1.74 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.625 0.77 . . . . 0.0 112.267 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.27 -36.66 75.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.459 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.7 130.7 46.57 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.308 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.49 150.64 52.06 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.618 2.212 . . . . 0.0 112.064 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -129.3 122.78 30.29 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.5 t -143.72 156.78 44.64 Favored 'General case' 0 N--CA 1.409 -2.481 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 64.5 tt0 -75.13 102.49 4.94 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.521 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -175.94 -59.46 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -94.3 -39.31 10.57 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.592 -1.186 . . . . 0.0 108.442 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -102.2 144.45 30.72 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 63.35 25.38 14.61 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -75.9 96.46 3.73 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.95 88.25 0.82 Allowed 'General case' 0 N--CA 1.421 -1.925 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.906 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.74 -21.11 48.5 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.294 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.17 -175.57 20.58 Favored Glycine 0 N--CA 1.432 -1.618 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.87 93.9 1.7 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.73 -24.88 2.72 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.546 -177.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.2 p -75.76 82.61 2.72 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.524 0.678 . . . . 0.0 111.98 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -168.77 101.18 0.39 Allowed 'General case' 0 CA--C 1.484 -1.56 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.543 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.257 -3.437 0 CA-C-N 114.122 -1.399 . . . . 0.0 110.56 -179.477 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.486 -1.518 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.0 178.82 7.17 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 122.063 1.842 . . . . 0.0 110.614 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -66.36 -25.67 66.91 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 72.45 60.43 0.12 Allowed 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.48 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 1.2 mp0 -63.45 -36.27 83.18 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.007 -1.452 . . . . 0.0 108.805 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 46.5 p90 -72.58 149.47 43.96 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 114.126 -1.397 . . . . 0.0 112.398 -177.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -139.24 133.39 16.09 Favored Pre-proline 0 C--N 1.306 -1.326 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.34 -16.82 56.19 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.012 2.475 . . . . 0.0 114.485 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.57 -28.18 23.47 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.0 mt -76.41 141.75 70.22 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.26 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.68 118.83 5.74 Favored 'Trans proline' 0 C--O 1.245 0.854 0 C-N-CA 122.443 2.095 . . . . 0.0 110.966 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.34 32.72 84.57 Favored Glycine 0 CA--C 1.499 -0.955 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 33' ' ' PHE . . . 69.99 1.11 31.14 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.382 -0.409 . . . . 0.0 112.326 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.34 88.62 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.98 -26.49 27.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.212 0.529 . . . . 0.0 111.394 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 82.5 m-70 -102.64 95.21 6.07 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -175.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 147.83 45.3 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.539 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 9.9 t -95.52 117.66 30.81 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.923 -1.49 . . . . 0.0 107.268 173.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.87 -34.36 75.87 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.334 0.396 . . . . 0.0 111.671 -176.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.38 -17.73 64.3 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.856 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.6 m -115.31 -18.64 11.02 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.5 20.21 9.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.994 0.918 . . . . 0.0 109.979 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -104.83 143.22 33.43 Favored 'General case' 0 CA--C 1.482 -1.638 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.771 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -104.72 140.87 37.43 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.427 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' CD1' HD23 ' A' ' 58' ' ' LEU . 79.2 m-85 -118.58 147.02 44.14 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.515 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -59.04 -32.18 47.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 124.339 1.056 . . . . 0.0 112.733 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -151.46 154.42 36.56 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.41 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 35.2 t -58.33 -31.85 67.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 123.373 0.669 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 20.6 m -64.06 -39.44 94.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -39.22 86.73 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 120.794 0.331 . . . . 0.0 110.655 177.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.603 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -64.88 -51.8 60.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.292 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 56' ' ' THR . 17.9 ptpt -63.36 -34.93 78.78 Favored 'General case' 0 C--N 1.298 -1.63 0 CA-C-O 120.892 0.377 . . . . 0.0 111.828 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -68.24 -30.29 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.884 0.849 . . . . 0.0 110.049 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 50.5 t60 -59.33 -29.08 67.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.629 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 23.5 m-85 -89.72 1.91 55.48 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.831 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -75.02 -10.7 59.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.471 0.653 . . . . 0.0 110.397 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 114.72 11.11 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.848 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.708 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 15.8 t70 -54.57 -38.02 66.19 Favored 'General case' 0 C--O 1.202 -1.435 0 C-N-CA 123.294 0.638 . . . . 0.0 111.467 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.641 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 1.9 t60 -65.6 -54.36 28.86 Favored 'General case' 0 CA--C 1.465 -2.294 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.502 -176.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 71' ' ' LEU . 46.0 mtmt -72.95 -27.58 61.92 Favored 'General case' 0 N--CA 1.395 -3.189 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.043 -174.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -65.1 -41.12 95.26 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.203 168.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 66' ' ' ASP . 2.3 tpt180 -65.27 -27.52 68.7 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -177.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 81.1 mt -71.62 -37.97 70.85 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.946 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -68.25 -28.08 66.9 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.197 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -77.52 -38.08 49.61 Favored 'General case' 0 N--CA 1.408 -2.55 0 C-N-CA 123.923 0.889 . . . . 0.0 110.59 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.5 tp -76.5 -27.05 55.91 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.503 0.668 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 t -121.76 -159.98 0.84 Allowed 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.8 t -109.81 -59.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -130.11 97.96 22.14 Favored Pre-proline 0 N--CA 1.432 -1.365 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.092 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -91.36 26.58 0.45 Allowed 'Trans proline' 0 CA--C 1.517 -0.354 0 C-N-CA 122.734 2.289 . . . . 0.0 111.742 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -87.19 121.3 29.46 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.8 m -108.87 -175.46 2.77 Favored 'General case' 0 N--CA 1.404 -2.739 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -94.91 13.49 24.69 Favored 'General case' 0 C--N 1.282 -2.362 0 CA-C-O 122.556 1.17 . . . . 0.0 109.3 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -79.75 -20.27 46.72 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.652 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -120.46 25.38 9.82 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.072 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.94 179.99 7.98 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.612 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -133.23 -52.49 0.89 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.947 0.403 . . . . 0.0 111.446 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 62.36 73.08 0.48 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.084 -170.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -176.12 -57.11 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 114.036 -1.438 . . . . 0.0 107.465 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 57.67 82.49 0.13 Allowed 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.314 -1.312 . . . . 0.0 113.24 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.31 -77.14 1.73 Allowed Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.452 -0.794 . . . . 0.0 113.654 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 24.6 mmt 69.46 155.09 0.13 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.28 1.032 . . . . 0.0 111.855 -175.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.75 53.65 0.66 Allowed Glycine 0 C--N 1.303 -1.285 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.7 m -82.31 103.73 12.1 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 t80 70.71 144.26 0.06 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.952 1.301 . . . . 0.0 112.53 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.309 13.4 p . . . . . 0 C--O 1.255 1.353 0 C-N-CA 126.024 1.73 . . . . 0.0 114.471 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 C--O 1.236 0.344 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -62.84 122.24 10.46 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.141 1.894 . . . . 0.0 112.68 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 t30 67.01 -42.74 0.43 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.333 1.853 . . . . 0.0 113.494 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.15 78.27 5.22 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.721 0.772 . . . . 0.0 112.485 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -77.98 -73.91 0.29 Allowed 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 114.418 -1.264 . . . . 0.0 107.673 173.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 51.52 -166.97 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.716 1.206 . . . . 0.0 112.839 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -67.59 128.57 93.56 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.95 -9.73 25.12 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.688 2.259 . . . . 0.0 114.791 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -104.44 -23.93 13.11 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.281 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 57.5 mt -80.67 125.24 80.95 Favored Pre-proline 0 C--N 1.299 -1.609 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.264 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 24.0 Cg_exo -66.48 118.42 5.51 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.571 2.181 . . . . 0.0 110.611 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.93 26.52 71.35 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.397 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.56 11.41 72.46 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.598 -0.301 . . . . 0.0 112.564 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.57 10.39 86.27 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.022 -0.608 . . . . 0.0 111.905 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.4 mt -90.24 -33.91 15.98 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-O 121.219 0.533 . . . . 0.0 111.197 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 55' ' ' SER . 51.8 m80 -96.99 91.71 5.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -174.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.1 ptt180 -144.24 145.39 32.02 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.611 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.579 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 30.0 t -96.05 116.37 28.85 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 174.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.49 -40.12 95.69 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.387 0.43 . . . . 0.0 111.771 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.45 64.09 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.788 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.3 m -111.24 -13.28 14.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.11 19.71 7.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.708 0.803 . . . . 0.0 110.933 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -105.32 146.92 28.72 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.06 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' ARG . 96.6 m-85 -105.8 143.52 33.82 Favored 'General case' 0 N--CA 1.398 -3.037 0 CA-C-N 114.272 -1.331 . . . . 0.0 108.783 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CD1' HD23 ' A' ' 58' ' ' LEU . 67.9 m-85 -126.28 144.46 50.79 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.57 -21.81 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -148.25 153.88 39.32 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.992 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.465 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 36.9 t -63.2 -29.85 71.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 122.752 0.421 . . . . 0.0 111.034 -178.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.9 m -65.56 -38.3 89.19 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -66.36 -41.74 89.03 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 121.125 0.488 . . . . 0.0 110.853 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.637 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -66.25 -49.37 67.4 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.173 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.58 -35.89 77.97 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.1 m -63.12 -30.87 71.94 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.637 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 58.0 t60 -60.81 -28.77 69.04 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.686 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 16.4 m-85 -93.57 -8.53 40.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.58 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -68.98 -11.58 60.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.366 0.603 . . . . 0.0 111.168 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.8 m -75.02 105.31 5.98 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.4 -39.82 67.63 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.86 0.864 . . . . 0.0 112.067 -175.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.98 -33.19 62.29 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 123.797 0.839 . . . . 0.0 111.869 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.559 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 3.0 t60 -69.54 -49.06 57.92 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.782 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.629 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.5 mtpt -74.11 -29.37 61.8 Favored 'General case' 0 C--N 1.26 -3.308 0 C-N-CA 119.829 -0.749 . . . . 0.0 109.996 -174.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.61 -49.5 76.23 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.839 165.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.62 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 4.1 tpp180 -58.31 -35.15 71.42 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 124.473 1.109 . . . . 0.0 109.096 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt -64.08 -36.1 82.92 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.36 0.664 . . . . 0.0 111.432 -177.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.419 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -78.23 -27.81 47.74 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.742 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 79.1 mt -70.7 -19.72 62.73 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.69 0.396 . . . . 0.0 111.03 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.5 m -68.84 -34.49 75.57 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.5 t -82.18 -46.79 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 60.07 82.8 0.22 Allowed Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.087 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -99.11 46.7 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 123.778 2.986 . . . . 0.0 109.486 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.5 t80 74.62 120.15 0.05 OUTLIER 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.933 -172.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.1 m -121.67 118.11 28.34 Favored 'General case' 0 N--CA 1.398 -3.045 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -80.33 0.41 33.06 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 122.453 1.121 . . . . 0.0 109.862 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.9 -11.14 42.73 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 113.752 -1.567 . . . . 0.0 108.899 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -92.6 -37.43 12.46 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.12 -154.54 0.04 OUTLIER 'General case' 0 C--O 1.249 1.041 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.543 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 85.72 92.32 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 125.618 1.567 . . . . 0.0 111.781 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.465 ' HD3' ' H ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -57.32 118.48 5.16 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.111 174.33 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.79 -67.27 0.86 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 64.54 90.69 0.08 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.564 0.745 . . . . 0.0 109.391 -175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.52 27.81 2.5 Favored Glycine 0 C--N 1.295 -1.74 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.103 -176.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.36 154.65 41.37 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.48 -127.92 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.556 -0.354 . . . . 0.0 113.592 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.9 p 49.67 43.47 24.35 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.695 0.76 . . . . 0.0 111.018 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.24 130.44 46.21 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.89 -176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.295 -1.8 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.201 176.551 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 . . . . . 0 CA--C 1.499 -0.989 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.57 162.94 7.53 Favored 'Trans proline' 0 C--O 1.247 0.971 0 C-N-CA 122.434 2.089 . . . . 0.0 112.18 176.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -64.19 -24.33 67.64 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 124.302 1.041 . . . . 0.0 111.017 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 59.0 74.91 0.42 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.627 1.171 . . . . 0.0 113.578 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -81.45 -22.8 37.9 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.503 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 47.8 p90 -91.98 160.54 15.2 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 113.139 -1.846 . . . . 0.0 107.713 175.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 10.1 t70 -84.59 125.6 71.02 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -80.91 -7.23 13.31 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.173 1.915 . . . . 0.0 114.591 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -92.3 -32.55 14.97 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.558 0.694 . . . . 0.0 109.244 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 7.4 mp -91.38 121.15 67.97 Favored Pre-proline 0 C--N 1.3 -1.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' O ' ' HB3' ' A' ' 51' ' ' TYR . 39.7 Cg_exo -56.44 124.47 16.34 Favored 'Trans proline' 0 C--O 1.241 0.631 0 C-N-CA 122.689 2.26 . . . . 0.0 113.133 -177.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 73.85 22.39 78.18 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.891 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 70.42 5.52 55.33 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.234 -0.483 . . . . 0.0 112.674 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.93 13.88 69.97 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.85 -35.17 11.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 122.765 0.426 . . . . 0.0 110.801 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 78.0 m-70 -102.29 90.38 3.89 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -176.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.13 148.73 45.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.752 0.787 . . . . 0.0 111.581 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.67 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 9.3 t -96.48 117.05 30.1 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 170.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.47 -34.14 77.59 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.396 0.435 . . . . 0.0 110.669 -175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.23 72.36 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.017 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -96.04 -23.35 16.85 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 28.56 18.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.935 0.874 . . . . 0.0 109.545 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.37 154.6 24.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.997 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 38' ' ' PRO . 54.8 m-85 -104.71 129.3 52.93 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.441 -177.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 75.9 m-85 -113.46 141.64 46.87 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.539 HD13 ' H ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -65.09 -40.36 88.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.906 -176.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -135.81 149.16 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.154 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.454 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -59.13 -34.36 71.95 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 123.771 0.669 . . . . 0.0 111.904 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.3 m -63.07 -35.77 81.35 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.525 0.679 . . . . 0.0 109.887 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.12 -42.3 80.41 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.066 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.5 tm? -66.58 -47.34 73.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.717 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.611 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 8.8 mmpt? -58.24 -44.05 88.09 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.24 175.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.7 m -62.88 -33.57 75.56 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.588 0.709 . . . . 0.0 110.199 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 70.9 t60 -59.14 -29.24 67.27 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.487 -1.233 . . . . 0.0 113.198 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.67 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -97.42 4.74 50.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 117.477 -1.689 . . . . 0.0 110.703 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -78.73 -0.97 32.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -89.62 111.16 22.03 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -65.95 -25.76 67.27 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.787 -178.057 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.6 m-20 -64.04 -31.65 72.91 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 123.191 0.596 . . . . 0.0 111.362 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.537 ' O ' HD13 ' A' ' 71' ' ' LEU . 2.8 t60 -66.32 -55.28 16.74 Favored 'General case' 0 CA--C 1.478 -1.79 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.367 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -68.3 -28.89 67.58 Favored 'General case' 0 C--N 1.271 -2.835 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.192 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 34.4 ttpt -60.9 -43.82 98.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.943 169.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -34.58 76.92 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 67' ' ' HIS . 9.6 mp -69.13 -40.21 78.43 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.465 0.706 . . . . 0.0 110.861 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -60.37 -43.2 96.81 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.325 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -70.05 -40.9 74.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.646 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 74' ' ' LEU . 5.8 tt -60.4 -32.45 71.34 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 123.569 0.748 . . . . 0.0 109.445 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.1 m 76.52 178.37 0.17 Allowed 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.671 1.189 . . . . 0.0 110.777 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -61.85 -54.38 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -156.43 99.23 2.1 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 120.985 0.422 . . . . 0.0 109.991 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -99.52 -157.45 0.04 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.483 0 C-N-CA 123.262 2.642 . . . . 0.0 110.751 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -83.34 162.84 20.95 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.013 174.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.1 t -145.43 149.74 35.26 Favored 'General case' 0 N--CA 1.396 -3.127 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -81.58 76.61 8.5 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-O 122.607 1.194 . . . . 0.0 109.515 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -143.77 -53.66 0.35 Allowed 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 104.317 -2.475 . . . . 0.0 104.317 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -63.12 -61.58 2.28 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.86 -165.34 0.1 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 124.448 1.092 . . . . 0.0 112.777 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -137.41 76.69 1.6 Allowed 'General case' 0 N--CA 1.41 -2.464 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -90.13 105.13 17.6 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.635 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -146.22 80.6 1.57 Allowed 'General case' 0 N--CA 1.432 -1.341 0 CA-C-O 121.702 0.763 . . . . 0.0 109.965 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.46 84.97 1.31 Allowed 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.245 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.14 164.27 37.46 Favored Glycine 0 N--CA 1.423 -2.228 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.46 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -112.84 24.9 11.93 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.35 36.6 6.17 Favored Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 106.614 -2.594 . . . . 0.0 106.614 -170.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m -71.74 121.12 18.35 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 113.679 -1.261 . . . . 0.0 111.671 -173.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -147.44 135.74 21.59 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.296 -1.734 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.762 -177.596 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 CA--C 1.493 -1.216 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -60.96 153.95 60.03 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.76 1.64 . . . . 0.0 109.972 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -64.32 -47.34 79.79 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 62.77 77.85 0.31 Allowed 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.498 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.82 -24.1 41.59 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 122.515 1.15 . . . . 0.0 107.991 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.437 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 38.4 p90 -94.31 174.26 7.23 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 113.865 -1.516 . . . . 0.0 109.387 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 10.3 t70 -98.01 106.93 37.77 Favored Pre-proline 0 C--N 1.317 -0.826 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 33' ' ' PHE . 32.5 Cg_exo -60.21 -17.15 44.54 Favored 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.237 2.625 . . . . 0.0 115.084 -177.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.69 -39.68 57.07 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.325 0.583 . . . . 0.0 109.561 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 9.4 mp -74.55 140.81 75.63 Favored Pre-proline 0 C--N 1.3 -1.569 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.213 -178.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 37.9 Cg_exo -57.24 120.12 7.83 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.639 2.226 . . . . 0.0 111.167 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.12 73.44 Favored Glycine 0 N--CA 1.436 -1.32 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.378 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 76.27 0.97 67.91 Favored Glycine 0 N--CA 1.433 -1.564 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.76 -2.07 86.91 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -176.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -90.69 -37.07 13.97 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-O 121.131 0.491 . . . . 0.0 110.936 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.645 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 89.0 m-70 -89.16 86.43 6.87 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.52 0.676 . . . . 0.0 110.097 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -134.92 155.63 50.38 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.557 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.508 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 38.1 t -97.06 116.93 30.14 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.0 -39.18 90.06 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.225 0.536 . . . . 0.0 109.731 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -17.8 62.42 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.289 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -116.96 -10.46 10.95 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.2 17.42 6.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.716 0.806 . . . . 0.0 111.237 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -104.91 142.47 34.7 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -105.08 137.11 43.36 Favored 'General case' 0 N--CA 1.411 -2.375 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.425 ' CD1' HD23 ' A' ' 58' ' ' LEU . 72.4 m-85 -115.58 144.32 44.06 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -62.9 -25.34 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -145.7 151.63 38.32 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.645 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 30.5 p -57.14 -33.19 67.14 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 111.484 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -66.63 -33.24 75.21 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -69.3 -42.04 75.97 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-O 121.415 0.626 . . . . 0.0 109.473 177.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -62.59 -50.51 71.01 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.688 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.73 -43.17 94.33 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.192 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -64.62 -31.57 72.85 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.334 0.588 . . . . 0.0 110.051 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.498 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 27.3 t60 -58.85 -30.11 67.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.029 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.686 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 24.7 m-85 -85.16 3.74 37.69 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.476 -1.29 . . . . 0.0 111.038 -178.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -67.7 -7.74 29.55 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.459 0.647 . . . . 0.0 111.002 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -72.16 97.62 1.98 Allowed 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 169.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.594 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -65.29 -25.8 67.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.471 -177.272 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 16.5 t70 -66.48 -34.69 78.48 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.864 0.84 . . . . 0.0 109.113 176.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.576 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 17.6 t60 -72.86 -47.73 43.59 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.293 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.686 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 51.8 mtmt -68.72 -28.55 66.93 Favored 'General case' 0 C--N 1.285 -2.213 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.483 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 53.5 tptt -56.78 -50.45 72.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 166.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 8.9 mmm180 -53.75 -36.51 62.4 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.294 1.038 . . . . 0.0 111.601 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 67' ' ' HIS . 11.1 mp -74.65 -37.53 62.72 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.146 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.71 -48.24 81.67 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.44 -32.82 74.6 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.639 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.97 -38.34 90.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.324 0.583 . . . . 0.0 109.679 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.7 m -84.22 -11.69 56.06 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.932 -176.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -106.6 -49.7 8.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.192 0.52 . . . . 0.0 110.799 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.29 130.49 25.82 Favored Pre-proline 0 C--N 1.306 -1.304 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.538 -175.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -72.37 157.92 52.38 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 121.809 1.673 . . . . 0.0 109.215 171.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.99 167.79 12.51 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 120.934 0.397 . . . . 0.0 110.869 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.7 p -81.39 -59.77 2.51 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.598 0.713 . . . . 0.0 110.625 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -135.33 48.52 2.24 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.315 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 44.7 tt0 63.86 16.24 9.68 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.004 0.922 . . . . 0.0 109.55 -176.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 40.8 tt0 66.67 17.18 10.56 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.536 1.16 . . . . 0.0 108.651 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.71 81.7 5.93 Favored 'General case' 0 N--CA 1.427 -1.584 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.23 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -98.7 5.61 47.53 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 122.318 1.056 . . . . 0.0 108.493 174.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -136.62 95.51 3.16 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-N 114.118 -1.401 . . . . 0.0 108.23 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.32 -77.47 0.47 Allowed 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.07 88.71 0.08 Allowed 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 124.241 1.017 . . . . 0.0 108.501 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -124.74 -98.5 1.22 Allowed Glycine 0 N--CA 1.426 -2.006 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.0 ttm -150.72 116.61 5.55 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.38 -72.29 0.02 OUTLIER Glycine 0 C--N 1.293 -1.84 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.2 m -93.59 132.9 37.46 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.421 ' CD2' HG12 ' A' ' 94' ' ' VAL . 49.2 p90 -92.65 167.71 11.72 Favored 'General case' 0 N--CA 1.405 -2.676 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.421 HG12 ' CD2' ' A' ' 93' ' ' TYR 0.32 11.5 p . . . . . 0 C--O 1.255 1.384 0 C-N-CA 125.385 1.474 . . . . 0.0 114.325 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -54.48 123.04 12.65 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 122.165 1.91 . . . . 0.0 113.005 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.8 t30 55.66 21.39 4.54 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 125.374 1.47 . . . . 0.0 111.574 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -142.24 87.75 2.05 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.091 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -86.58 128.2 34.97 Favored 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.996 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CZ ' ' HB1' ' A' ' 31' ' ' ALA . 52.1 m-85 -136.84 174.9 10.12 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.732 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' H ' ' HA2' ' A' ' 40' ' ' GLY . 10.5 t70 -128.98 130.72 23.45 Favored Pre-proline 0 C--N 1.302 -1.459 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.0 -12.2 33.49 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.263 1.976 . . . . 0.0 115.146 -175.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -96.68 -28.22 14.42 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.978 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.58 121.95 63.68 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.166 -178.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 51' ' ' TYR . 24.5 Cg_exo -62.03 124.18 13.95 Favored 'Trans proline' 0 C--O 1.245 0.857 0 C-N-CA 122.718 2.279 . . . . 0.0 111.089 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.86 20.3 75.93 Favored Glycine 0 CA--C 1.501 -0.792 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' HA2' ' H ' ' A' ' 34' ' ' ASP . . . 64.6 15.05 59.01 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 -177.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.425 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 75.75 5.27 78.7 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.205 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.7 -8.32 54.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.003 0.43 . . . . 0.0 111.825 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.504 ' HB3' HD23 ' A' ' 58' ' ' LEU . 82.7 m-70 -128.46 99.62 5.46 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.0 ptt180 -143.85 151.77 40.31 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-O 122.043 0.925 . . . . 0.0 113.089 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.626 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.5 t -96.4 117.14 30.26 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -42.24 98.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 123.749 0.82 . . . . 0.0 111.061 -175.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.253 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 100.0 m -96.95 -14.04 21.99 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.861 -0.736 . . . . 0.0 112.11 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.47 15.77 4.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.376 1.07 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 41.3 mmt180 -104.81 148.11 26.99 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 78.1 m-85 -104.23 141.16 36.77 Favored 'General case' 0 N--CA 1.397 -3.09 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 5.6 m-85 -121.76 152.94 38.91 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.6 pt -60.48 -33.55 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.09 160.26 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.84 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -65.04 -27.44 68.8 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.691 0.796 . . . . 0.0 111.578 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.3 p -60.32 -44.51 95.39 Favored 'General case' 0 N--CA 1.414 -2.232 0 CA-C-O 121.601 0.715 . . . . 0.0 110.027 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -60.3 -43.34 96.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.653 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.548 ' CD2' ' HB2' ' A' ' 52' ' ' PHE . 3.6 mm? -61.92 -54.46 41.65 Favored 'General case' 0 CA--C 1.479 -1.765 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.63 -36.2 78.05 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.915 -177.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.5 m -71.82 -34.0 68.97 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.71 0.767 . . . . 0.0 109.689 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.35 -37.52 87.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.134 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.626 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 39.5 m-85 -83.53 6.43 20.46 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.507 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -71.56 -6.16 38.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.219 0.533 . . . . 0.0 111.148 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -75.65 106.44 7.21 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.98 -37.99 84.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.008 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.88 -37.5 79.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.895 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.597 ' O ' ' HB3' ' A' ' 70' ' ' ARG . 11.3 t60 -70.74 -45.4 64.93 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.119 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 46.0 mtmt -71.64 -28.15 63.58 Favored 'General case' 0 C--N 1.268 -2.958 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.663 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.08 -44.55 96.42 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 168.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 67' ' ' HIS . 28.0 tpt180 -53.97 -33.94 58.39 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.537 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt -68.39 -38.0 80.92 Favored 'General case' 0 N--CA 1.427 -1.606 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.109 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -73.33 -30.76 63.56 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 120.871 0.367 . . . . 0.0 110.107 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -70.04 -45.4 67.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.942 175.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.8 tp -71.66 -18.61 62.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.105 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m 79.14 101.06 0.06 Allowed 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.449 1.499 . . . . 0.0 113.329 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.06 -33.2 46.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.553 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 70.74 108.68 0.03 OUTLIER Pre-proline 0 C--O 1.235 0.298 0 O-C-N 124.437 1.085 . . . . 0.0 110.771 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.83 117.27 4.27 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 121.972 1.781 . . . . 0.0 109.891 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -57.01 144.64 33.32 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.288 0.566 . . . . 0.0 112.222 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.5 m -140.88 100.43 3.83 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.969 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.589 ' HG2' ' H ' ' A' ' 82' ' ' GLU . 54.4 tt0 64.13 -178.22 0.16 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.057 0.943 . . . . 0.0 108.913 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.589 ' H ' ' HG2' ' A' ' 81' ' ' GLN . 9.3 tp10 73.42 -57.8 0.62 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.558 1.543 . . . . 0.0 110.117 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.6 -32.56 20.56 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.317 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -129.66 95.5 4.0 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -102.84 -1.12 30.27 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.736 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -65.65 142.89 57.89 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.726 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.05 -49.65 6.46 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.02 -63.91 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.973 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.88 77.47 0.25 Allowed Glycine 0 C--N 1.299 -1.479 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.176 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.2 ttt -69.97 115.29 9.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.088 0.471 . . . . 0.0 111.493 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.96 -71.26 1.14 Allowed Glycine 0 N--CA 1.433 -1.562 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.7 m 53.98 75.06 0.29 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.78 0.832 . . . . 0.0 110.821 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -106.71 174.21 5.99 Favored 'General case' 0 N--CA 1.418 -2.051 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.425 -173.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.44 -0.944 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.33 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.09 168.4 0.12 Allowed 'Trans proline' 0 C--N 1.367 1.549 0 C-N-CA 123.629 2.886 . . . . 0.0 113.12 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.22 74.9 7.03 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-O 122.638 1.209 . . . . 0.0 109.413 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.25 62.56 0.69 Allowed 'General case' 0 C--N 1.277 -2.544 0 CA-C-N 113.022 -1.899 . . . . 0.0 108.772 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -73.02 -21.52 60.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 113.905 -1.498 . . . . 0.0 108.741 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -100.26 178.92 4.63 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 113.857 -1.519 . . . . 0.0 108.855 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -134.81 143.41 46.2 Favored Pre-proline 0 C--N 1.299 -1.598 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.56 -22.27 18.43 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.088 1.859 . . . . 0.0 114.989 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.07 -23.87 14.41 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.85 0.833 . . . . 0.0 109.729 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.83 110.11 52.23 Favored Pre-proline 0 C--N 1.296 -1.726 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.013 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.66 126.32 21.46 Favored 'Trans proline' 0 C--N 1.331 -0.372 0 C-N-CA 123.519 2.813 . . . . 0.0 111.704 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.33 -2.52 66.13 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.405 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.34 9.23 53.84 Favored Glycine 0 N--CA 1.438 -1.185 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.21 25.52 36.66 Favored Glycine 0 N--CA 1.431 -1.669 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -119.25 -165.68 1.17 Allowed 'General case' 1 N--CA 1.36 -4.944 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 39.66 66.64 0.55 Allowed 'General case' 0 C--N 1.281 -2.376 0 C-N-CA 126.123 1.769 . . . . 0.0 110.633 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -126.9 144.94 50.85 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.081 0.943 . . . . 0.0 113.379 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 26.5 t -94.82 117.37 30.02 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.02 -33.94 76.89 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.116 0.484 . . . . 0.0 110.697 -176.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.76 65.05 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.854 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.87 -14.45 10.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.77 14.99 5.51 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.332 1.053 . . . . 0.0 112.336 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 151.43 24.88 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -104.21 145.18 30.58 Favored 'General case' 0 N--CA 1.407 -2.608 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.433 ' CE1' HD23 ' A' ' 58' ' ' LEU . 61.7 m-85 -120.78 146.02 46.95 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 pt -71.47 -26.83 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.842 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -140.11 153.05 46.59 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.335 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -63.14 -31.32 72.43 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.559 0.744 . . . . 0.0 110.422 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.9 m -61.89 -42.64 99.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -66.86 -41.95 86.5 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 123.662 0.785 . . . . 0.0 110.818 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -65.73 -48.74 70.91 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.729 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.19 -42.96 92.1 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.8 m -62.1 -30.05 70.74 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.769 0.795 . . . . 0.0 110.32 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.652 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 41.6 t60 -60.5 -29.9 69.37 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.177 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.467 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.8 m-85 -91.09 8.99 32.79 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.409 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.29 -12.7 61.26 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.058 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 m -78.81 99.39 6.69 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -64.37 -25.46 68.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -175.292 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.0 t70 -61.36 -32.3 72.2 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 122.131 0.967 . . . . 0.0 109.876 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.664 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.2 t60 -68.05 -50.81 52.9 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.491 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.4 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 48.3 mtpt -69.9 -28.92 66.01 Favored 'General case' 0 C--N 1.279 -2.463 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.433 -176.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 83.5 tttt -61.58 -43.72 98.34 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.344 170.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -67.38 -29.52 69.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.407 0.622 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 77.9 mt -73.95 -46.13 46.0 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.817 -178.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 77' ' ' GLU . 19.5 ptpt -59.46 -48.62 80.94 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.429 -178.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -71.58 -21.56 61.85 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 123.421 0.451 . . . . 0.0 111.537 -175.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.4 tp -75.07 -42.42 56.87 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.639 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.2 m -174.4 -37.11 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -173.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.0 t -57.97 -39.95 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 37.3 tt0 -154.01 86.52 3.77 Favored Pre-proline 0 C--N 1.306 -1.306 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.656 -177.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -69.43 124.38 11.16 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 123.019 2.48 . . . . 0.0 109.934 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.562 ' OH ' ' HA ' ' A' ' 82' ' ' GLU . 72.8 t80 65.74 107.7 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.975 0.893 . . . . 0.0 108.608 -174.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 t -106.96 107.49 18.54 Favored 'General case' 0 C--N 1.274 -2.717 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.332 -169.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.717 ' HG3' ' HB2' ' A' ' 84' ' ' ALA 0.374 26.7 pt20 35.97 72.58 0.1 Allowed 'General case' 0 C--O 1.24 0.586 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 176.18 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HA ' ' OH ' ' A' ' 79' ' ' TYR . 31.1 tt0 56.55 29.56 15.71 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.706 1.202 . . . . 0.0 110.385 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 70.12 86.43 0.13 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.016 1.326 . . . . 0.0 109.723 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.717 ' HB2' ' HG3' ' A' ' 81' ' ' GLN . . . -82.17 173.69 11.89 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 113.631 -1.622 . . . . 0.0 111.768 -174.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 65.11 22.35 12.29 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -113.37 116.67 30.03 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.89 89.15 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.704 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 58.38 80.65 0.17 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.158 0.911 . . . . 0.0 111.755 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.46 -102.65 0.3 Allowed Glycine 0 N--CA 1.436 -1.323 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.977 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 tpt 64.37 96.32 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.918 0.887 . . . . 0.0 111.166 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.85 -3.24 20.16 Favored Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.316 -0.945 . . . . 0.0 113.482 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.9 p -80.78 102.29 9.88 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 121.048 0.452 . . . . 0.0 111.263 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -152.79 134.33 14.47 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.532 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.294 -1.824 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.239 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 C--O 1.241 0.633 0 N-CA-C 111.04 -0.408 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 76.37 21.54 75.15 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.18 7.93 60.89 Favored Glycine 0 CA--C 1.493 -1.307 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.926 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.05 10.93 78.7 Favored Glycine 0 N--CA 1.437 -1.27 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -95.02 -10.87 29.6 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 123.211 0.604 . . . . 0.0 112.46 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.64 99.46 6.18 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -129.25 148.14 51.15 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.354 0.597 . . . . 0.0 110.893 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.583 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 19.2 t -97.27 115.81 28.32 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 163.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.8 -36.8 84.54 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 120.915 0.388 . . . . 0.0 111.233 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -17.86 65.0 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.741 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 78.8 m -114.19 -12.76 12.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.43 24.02 9.71 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.632 0.73 . . . . 0.0 110.557 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 99.5 mtt180 -105.42 143.52 33.47 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.907 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.61 128.3 53.54 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.498 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 76.1 m-85 -111.86 146.0 38.48 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 pt -61.89 -29.98 47.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -149.06 156.01 41.59 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -61.65 -32.77 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.561 0.538 . . . . 0.0 110.637 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.5 m -64.05 -40.14 95.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -68.2 -37.15 80.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.253 0.549 . . . . 0.0 111.227 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -67.55 -50.46 58.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.263 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.19 -34.27 77.71 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.5 m -64.32 -30.26 71.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.881 0.848 . . . . 0.0 109.703 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.535 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 33.7 t60 -63.69 -28.78 70.13 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.554 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 22.4 m-85 -85.65 6.71 26.27 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 118.478 -1.289 . . . . 0.0 110.62 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -75.06 3.41 8.53 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.841 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 m -85.08 104.75 15.27 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -59.48 -30.88 68.85 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.548 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 16.5 t70 -71.33 -30.48 66.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.742 0.782 . . . . 0.0 110.722 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -64.55 -52.72 56.21 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt . . . . . 0 C--N 1.29 -2.009 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.331 -175.603 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--O 1.241 0.664 0 CA-C-O 121.038 0.349 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.93 20.86 72.99 Favored Glycine 0 CA--C 1.505 -0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.94 7.85 60.0 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 -177.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 76.95 3.52 80.99 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.885 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.4 -9.2 58.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.238 0.615 . . . . 0.0 111.656 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -127.36 99.3 5.58 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.8 ptt180 -145.81 151.35 37.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.771 0.796 . . . . 0.0 112.956 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.505 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 23.5 t -97.05 117.74 31.9 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 113.98 -1.464 . . . . 0.0 107.114 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.0 -36.88 85.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.991 0.424 . . . . 0.0 111.114 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.05 67.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.192 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.86 -14.59 14.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 64.1 12.46 7.02 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.401 1.08 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -106.14 154.52 20.56 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 85.8 m-85 -105.14 145.85 30.0 Favored 'General case' 0 N--CA 1.406 -2.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.483 ' CD1' HD23 ' A' ' 58' ' ' LEU . 76.9 m-85 -120.08 153.5 36.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 pt -63.44 -39.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.09 177.77 8.71 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.195 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -70.57 -31.78 68.93 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -64.17 -47.11 81.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.253 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -63.22 -40.21 96.81 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.484 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.586 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -63.13 -50.49 70.24 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.809 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.03 -34.79 78.32 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -61.36 -30.3 70.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.994 0.902 . . . . 0.0 109.488 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.586 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 34.5 t60 -65.47 -28.89 69.54 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.565 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 22.8 m-85 -91.06 14.03 15.16 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.243 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 3.6 mmp_? -75.9 2.57 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -91.35 108.98 20.25 Favored 'General case' 0 N--CA 1.42 -1.927 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -58.58 -35.59 72.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.542 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.95 -30.07 71.04 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.123 0.969 . . . . 0.0 112.052 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.76 -56.09 6.41 Favored 'General case' 0 CA--C 1.478 -1.822 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.79 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.1 mtpt . . . . . 0 C--N 1.287 -2.134 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.789 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 C--O 1.252 1.199 0 CA-C-O 121.127 0.386 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 69.58 30.63 70.83 Favored Glycine 0 CA--C 1.502 -0.771 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.245 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.87 7.33 58.82 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.631 -0.285 . . . . 0.0 113.027 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.67 9.43 86.28 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.098 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.38 -12.82 22.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -126.72 100.78 6.34 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.083 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.504 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.09 147.22 38.19 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.39 0.614 . . . . 0.0 112.345 178.036 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.442 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.9 t -97.04 116.19 28.8 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 169.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.78 -32.64 74.06 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.362 0.601 . . . . 0.0 110.931 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.65 -18.32 65.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.63 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 74.1 m -117.95 -11.24 10.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.12 7.2 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.95 0.9 . . . . 0.0 111.097 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.2 mmt180 -105.79 143.81 33.41 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.418 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.504 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 44.2 m-85 -105.24 142.98 34.05 Favored 'General case' 0 N--CA 1.406 -2.663 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.175 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CE1' HD23 ' A' ' 58' ' ' LEU . 70.4 m-85 -121.36 149.65 42.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.123 -176.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -62.34 -29.75 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.544 ' HB3' HD22 ' A' ' 57' ' ' ASN . 26.6 t70 -148.65 157.61 43.57 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -62.4 -32.15 72.93 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 123.355 0.409 . . . . 0.0 110.686 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.7 m -66.07 -36.71 83.93 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.782 0.325 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.544 HD22 ' HB3' ' A' ' 54' ' ' ASP . 36.7 m-80 -69.77 -39.15 76.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 121.237 0.541 . . . . 0.0 110.419 177.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.611 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.1 tm? -64.57 -49.24 71.97 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.089 176.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.75 -37.45 79.04 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.916 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' ' 63' ' ' ARG . 90.8 m -63.51 -29.78 71.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.227 1.013 . . . . 0.0 110.342 176.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.611 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 25.1 t60 -62.99 -28.64 70.24 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.906 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 21.7 m-85 -89.09 15.9 8.0 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.826 -178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 60' ' ' THR . 6.5 mpt_? -67.79 -11.03 57.64 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.551 171.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 p -72.94 107.1 5.13 Favored 'General case' 0 N--CA 1.422 -1.845 0 C-N-CA 124.096 0.958 . . . . 0.0 109.642 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.611 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -33.05 73.09 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.611 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.6 t70 -72.7 -31.36 64.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-O 121.43 0.633 . . . . 0.0 109.711 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -64.11 -51.3 64.61 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.695 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 48.3 mtmt . . . . . 0 C--N 1.281 -2.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.662 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.814 -0.495 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.44 30.66 76.95 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.61 6.45 55.09 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 111.749 -0.541 . . . . 0.0 111.749 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.48 12.78 77.39 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.35 -23.81 19.12 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-O 121.017 0.437 . . . . 0.0 110.949 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.567 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 79.9 m-70 -110.14 96.54 6.29 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -142.85 161.12 38.95 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 121.609 0.719 . . . . 0.0 112.213 -178.694 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.608 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 31.8 t -95.23 116.53 28.88 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.94 -38.64 82.99 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 123.521 0.513 . . . . 0.0 111.224 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.48 -27.35 66.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.929 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.6 m -101.69 -15.34 17.03 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 63.22 11.42 5.33 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.482 1.113 . . . . 0.0 112.122 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 79.4 mtp180 -105.35 149.09 26.38 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.146 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -104.69 145.82 29.8 Favored 'General case' 0 N--CA 1.405 -2.682 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.962 -173.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD1' HD23 ' A' ' 58' ' ' LEU . 76.2 m-85 -124.77 146.13 49.37 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -58.38 -27.99 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 57' ' ' ASN . 23.9 t70 -149.94 153.84 37.28 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.567 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 40.7 t -58.32 -33.95 70.07 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.158 0.583 . . . . 0.0 111.233 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -37.2 85.88 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.947 0.403 . . . . 0.0 110.094 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.524 HD22 ' HB3' ' A' ' 54' ' ' ASP . 31.0 m-80 -66.84 -41.61 87.14 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -62.11 -50.34 72.3 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.666 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 55' ' ' SER . 68.0 mttm -57.21 -39.67 75.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.594 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.9 m -63.24 -30.34 71.5 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.693 0.758 . . . . 0.0 110.489 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.541 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 29.0 t60 -62.61 -28.59 70.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.602 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.608 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 24.0 m-85 -91.1 13.44 16.9 Favored 'General case' 0 C--O 1.206 -1.207 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.032 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -67.89 -11.53 58.88 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.62 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -78.87 103.46 8.83 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.344 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -33.87 76.69 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -62.36 -31.69 72.37 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.053 0.93 . . . . 0.0 109.894 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -71.95 -49.71 35.17 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 29.1 mtpp . . . . . 0 C--N 1.283 -2.294 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.945 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo . . . . . 0 C--O 1.241 0.636 0 CA-C-O 120.793 0.247 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 71.04 21.11 78.31 Favored Glycine 0 CA--C 1.497 -1.062 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.917 178.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.79 18.28 72.17 Favored Glycine 0 N--CA 1.437 -1.272 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.47 -2.28 31.0 Favored Glycine 0 N--CA 1.442 -0.916 0 O-C-N 123.938 0.434 . . . . 0.0 112.595 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.04 0.71 34.62 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 76.8 m-70 -135.13 102.67 5.27 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -142.85 152.19 41.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.222 0.534 . . . . 0.0 112.228 178.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.506 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.7 t -96.03 119.3 34.27 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.72 -30.97 70.59 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.257 0.551 . . . . 0.0 111.09 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -16.49 63.84 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.391 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.0 m -117.24 -26.41 6.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 68.71 14.06 8.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.213 1.005 . . . . 0.0 112.099 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -105.45 153.74 21.29 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -105.28 152.65 22.64 Favored 'General case' 0 N--CA 1.414 -2.261 0 C-N-CA 123.696 0.799 . . . . 0.0 110.278 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CE1' HD23 ' A' ' 58' ' ' LEU . 64.1 m-85 -127.49 145.92 50.68 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.207 -178.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.419 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 28.5 pt -63.27 -29.54 47.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.598 ' HB3' HD22 ' A' ' 57' ' ' ASN . 13.9 t70 -146.95 154.2 40.98 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.9 t -61.08 -31.6 71.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.531 0.519 . . . . 0.0 111.012 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.5 m -61.36 -43.17 99.32 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.598 HD22 ' HB3' ' A' ' 54' ' ' ASP . 37.4 m-80 -61.79 -46.24 90.41 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.364 0.665 . . . . 0.0 110.38 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.634 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -60.06 -49.19 78.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.67 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -63.04 -38.91 93.07 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.556 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -65.03 -31.0 72.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.833 0.825 . . . . 0.0 109.618 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.634 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 37.5 t60 -56.74 -28.41 61.06 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.221 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.524 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 16.9 m-85 -92.59 7.34 43.75 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.104 -1.039 . . . . 0.0 111.091 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 5.4 mmp_? -64.23 -24.88 67.83 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.006 0.431 . . . . 0.0 110.865 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.9 m -73.58 101.99 3.75 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -63.63 -25.61 68.3 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.148 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.48 -35.42 63.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.8 0.84 . . . . 0.0 111.007 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.42 -56.83 8.05 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.034 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 52.2 mtmt . . . . . 0 C--N 1.281 -2.397 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.569 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo . . . . . 0 C--O 1.241 0.63 0 N-CA-C 110.92 -0.454 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.68 27.83 73.03 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.07 7.56 59.86 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.04 83.38 Favored Glycine 0 N--CA 1.438 -1.198 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -85.77 -24.28 26.92 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.799 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.472 ' HB3' HD23 ' A' ' 58' ' ' LEU . 60.7 m-70 -109.5 96.48 6.31 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -176.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -139.63 150.12 44.58 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-O 121.965 0.888 . . . . 0.0 111.998 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.619 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 12.2 t -96.63 116.89 29.86 Favored 'General case' 0 C--N 1.272 -2.785 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 170.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.58 -36.58 84.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.28 65.23 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.963 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 95.2 m -112.72 -16.01 12.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.79 18.53 7.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.422 0.689 . . . . 0.0 110.713 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 94.9 mtt180 -105.93 141.97 36.43 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.083 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 90.7 m-85 -105.51 138.39 41.79 Favored 'General case' 0 N--CA 1.398 -3.046 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 24.8 m-85 -122.51 154.54 37.72 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -70.15 -21.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 57' ' ' ASN . 30.2 t70 -148.68 153.25 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.838 -177.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.0 t -66.61 -26.1 66.93 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.695 0.798 . . . . 0.0 111.573 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -30.14 66.62 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 89.9 m-20 -66.8 -43.52 83.65 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.769 175.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.0 mm? -58.78 -51.28 70.65 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.251 0.548 . . . . 0.0 111.008 172.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 58.8 tttm -53.19 -43.69 67.35 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.668 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.427 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 45.6 m -71.91 -31.84 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.006 0.907 . . . . 0.0 109.953 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -65.15 -35.33 80.76 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.526 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.619 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 30.6 m-85 -91.79 4.51 52.68 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.822 -1.151 . . . . 0.0 111.106 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 4.1 mmp_? -67.99 -32.94 73.69 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.073 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 m -65.6 109.55 2.42 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.634 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -58.34 -31.22 67.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.386 -178.208 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.79 -33.77 64.69 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.776 1.231 . . . . 0.0 111.582 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -68.26 -56.59 8.09 Favored 'General case' 0 CA--C 1.465 -2.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.501 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 48.0 mtmt . . . . . 0 N--CA 1.402 -2.849 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.646 -174.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo . . . . . 0 N--CA 1.479 0.649 0 N-CA-C 117.419 2.046 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.61 52.96 4.8 Favored Glycine 0 CA--C 1.485 -1.827 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.436 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.07 22.02 54.39 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.48 48.71 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.395 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.06 -4.14 14.55 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.444 ' HB3' HD23 ' A' ' 58' ' ' LEU . 77.4 m-70 -128.87 102.4 6.52 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.614 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.91 147.9 37.82 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.204 179.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.687 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 18.2 t -96.73 116.01 28.41 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.57 -34.32 75.61 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.451 0.643 . . . . 0.0 110.571 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.26 66.86 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.661 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.1 m -109.88 -4.85 15.74 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 54.7 26.3 7.39 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.198 0.999 . . . . 0.0 111.787 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -129.35 152.82 48.49 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.321 0.581 . . . . 0.0 111.195 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.525 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 29.6 m-85 -108.2 143.19 37.35 Favored 'General case' 0 N--CA 1.408 -2.532 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.436 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 9.2 m-85 -122.12 162.23 21.64 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.6 pt -66.65 -31.24 52.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -177.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -150.44 169.82 20.55 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.551 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.4 t -75.67 -25.37 56.71 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 122.985 0.514 . . . . 0.0 111.206 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -68.1 -35.63 78.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.12 -41.27 98.07 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.604 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.2 mm? -62.1 -53.77 50.73 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.712 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -54.25 -43.47 70.95 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.139 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -68.87 -36.37 78.02 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.55 0.69 . . . . 0.0 110.194 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -62.08 -34.62 76.64 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.937 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.687 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 36.2 m-85 -85.76 -2.74 58.52 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.141 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -66.31 -18.22 65.22 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.731 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.9 m -64.62 105.58 1.0 Allowed 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -62.16 -30.08 70.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.144 -0.935 . . . . 0.0 113.235 -176.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.545 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.9 t70 -71.36 -30.81 66.6 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-O 121.359 0.6 . . . . 0.0 109.739 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -66.3 -56.2 12.35 Favored 'General case' 0 CA--C 1.469 -2.145 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.647 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 47.4 mtmt . . . . . 0 N--CA 1.422 -1.852 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.017 -176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--O 1.247 0.943 0 CA-C-O 121.044 0.352 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.35 23.45 77.93 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.549 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.31 6.95 76.91 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.6 3.51 86.84 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.729 -0.549 . . . . 0.0 111.729 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.91 -2.06 58.37 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.298 0.639 . . . . 0.0 112.037 -175.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 79.3 m-70 -134.26 103.8 5.9 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -147.12 148.37 31.52 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.94 0.876 . . . . 0.0 112.908 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.655 ' HG ' ' HE1' ' A' ' 62' ' ' PHE . 22.0 t -95.91 116.14 28.48 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 172.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.8 -34.75 78.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 123.386 0.429 . . . . 0.0 110.989 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.34 -17.79 64.97 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.137 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 75.6 m -115.87 -10.6 11.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 58.58 24.82 12.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.607 0.763 . . . . 0.0 111.525 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.6 mmt180 -118.49 151.32 38.05 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.815 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -105.43 154.02 20.9 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 123.676 0.79 . . . . 0.0 109.247 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.464 ' CD1' HD23 ' A' ' 58' ' ' LEU . 71.4 m-85 -129.23 146.96 51.03 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.86 -22.57 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -174.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HB3' HD22 ' A' ' 57' ' ' ASN . 21.9 t70 -146.56 151.51 37.44 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.486 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.5 t -59.9 -34.75 73.61 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 123.211 0.604 . . . . 0.0 110.776 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.6 m -63.66 -37.61 88.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.738 0.304 . . . . 0.0 110.194 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 54' ' ' ASP . 21.0 m-80 -65.55 -42.09 92.29 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 121.323 0.582 . . . . 0.0 110.494 177.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -64.96 -50.7 65.36 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.746 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 55' ' ' SER . 75.2 mmtt -59.37 -43.61 92.83 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.446 177.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.0 m -61.83 -32.77 73.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.496 0.665 . . . . 0.0 110.38 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 49.8 t60 -59.82 -28.8 67.78 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.991 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.696 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 18.9 m-85 -91.81 -25.98 18.75 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.131 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -65.58 -12.51 53.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.088 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.9 m -73.34 99.69 2.99 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 167.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -54.32 -27.12 33.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.66 -38.12 69.18 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.733 0.646 . . . . 0.0 110.979 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -67.24 -56.74 8.57 Favored 'General case' 0 CA--C 1.446 -3.048 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.716 -176.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.696 ' HD3' ' HB3' ' A' ' 62' ' ' PHE 0.269 53.9 mtmt . . . . . 0 N--CA 1.4 -2.953 0 O-C-N 124.038 0.836 . . . . 0.0 111.464 -174.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo . . . . . 0 C--O 1.239 0.553 0 N-CA-C 110.32 -0.685 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.58 29.08 73.58 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.91 8.26 47.63 Favored Glycine 0 CA--C 1.5 -0.88 0 CA-C-N 115.332 -0.434 . . . . 0.0 112.462 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.72 16.48 65.85 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.61 -28.33 21.97 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 121.571 0.701 . . . . 0.0 109.665 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 86.4 m-70 -98.38 92.8 5.85 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -142.9 144.79 32.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-O 122.325 1.06 . . . . 0.0 113.858 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.674 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 17.5 t -96.98 117.82 32.01 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 113.601 -1.636 . . . . 0.0 107.222 172.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.97 -35.34 80.86 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.389 0.614 . . . . 0.0 110.376 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.77 64.96 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.194 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 73.1 m -116.29 -14.78 11.05 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.29 17.17 8.01 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.987 0.915 . . . . 0.0 111.903 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 59.2 mtt180 -105.72 152.36 23.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.743 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.91 137.5 42.58 Favored 'General case' 0 N--CA 1.409 -2.519 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CD1' HD23 ' A' ' 58' ' ' LEU . 64.1 m-85 -112.65 146.65 38.27 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.731 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.3 pt -69.9 -33.14 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.881 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.556 ' HB3' HD22 ' A' ' 57' ' ' ASN . 17.0 t70 -139.07 147.93 42.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.262 -178.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t -59.33 -33.98 71.8 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 124.089 0.956 . . . . 0.0 111.316 -178.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 m -65.1 -37.41 87.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.556 HD22 ' HB3' ' A' ' 54' ' ' ASP . 30.6 m-80 -65.82 -43.74 87.67 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.599 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -63.98 -48.25 77.16 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.847 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HE3' ' OG ' ' A' ' 55' ' ' SER . 98.9 mttt -60.52 -42.23 96.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.695 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 99.1 m -60.13 -32.25 70.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 122.011 0.91 . . . . 0.0 109.746 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.587 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 73.8 t60 -62.47 -27.91 69.45 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.635 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.674 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -103.47 -7.78 20.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.347 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 60' ' ' THR . 39.5 ptt180 -67.85 -16.35 64.05 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.422 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 m -78.02 106.59 9.99 Favored 'General case' 0 N--CA 1.418 -2.069 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -58.64 -28.74 65.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.354 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.65 -36.2 64.32 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.998 0.919 . . . . 0.0 111.541 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -66.45 -56.57 10.31 Favored 'General case' 0 CA--C 1.476 -1.887 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.474 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 49.5 mtmt . . . . . 0 C--N 1.274 -2.711 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.246 0.882 0 CA-C-O 121.004 0.335 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.39 27.29 73.73 Favored Glycine 0 C--O 1.245 0.836 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.94 6.82 68.79 Favored Glycine 0 C--O 1.244 0.719 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.38 6.01 79.13 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.33 -35.45 15.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 120.828 0.347 . . . . 0.0 111.848 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 81.3 m-70 -94.36 94.32 8.21 Favored 'General case' 0 CA--C 1.478 -1.811 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -140.7 156.37 46.23 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.968 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.504 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 32.7 t -95.34 117.36 30.17 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.37 -44.39 97.25 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 123.822 0.701 . . . . 0.0 111.181 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -24.96 67.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.276 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.5 m -99.69 -16.72 18.07 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 120.488 -0.485 . . . . 0.0 112.176 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.46 21.87 10.34 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.098 0.959 . . . . 0.0 111.341 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -105.02 146.31 29.24 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -104.7 141.1 37.06 Favored 'General case' 0 N--CA 1.417 -2.106 0 O-C-N 123.894 0.746 . . . . 0.0 109.727 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' HD23 ' A' ' 58' ' ' LEU . 72.4 m-85 -121.23 146.77 46.46 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.2 pt -65.58 -23.19 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 O-C-N 123.754 0.659 . . . . 0.0 112.578 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.51 166.31 32.38 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 120.718 0.294 . . . . 0.0 110.671 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.53 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 36.4 t -72.76 -25.54 61.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.807 -177.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 m -70.61 -43.88 68.39 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.17 -45.8 86.84 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.231 0.539 . . . . 0.0 110.442 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.978 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.058 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.2 m -66.44 -31.23 71.86 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.706 0.765 . . . . 0.0 109.781 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.557 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 40.1 t60 -60.18 -28.43 67.94 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.951 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.663 ' O ' ' HD2' ' A' ' 68' ' ' LYS . 19.9 m-85 -91.92 12.98 19.86 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.563 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.85 -18.49 64.16 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.947 174.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -79.02 99.54 6.93 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -65.07 -25.31 67.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.274 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.96 -39.63 74.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.968 0.889 . . . . 0.0 109.444 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -66.59 -45.36 79.47 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.041 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 27.9 mtpp . . . . . 0 C--N 1.27 -2.882 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.619 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 C--O 1.246 0.894 0 N-CA-C 110.635 -0.564 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.36 78.45 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 7.6 60.91 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.377 -0.411 . . . . 0.0 112.158 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.409 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 73.53 7.35 73.42 Favored Glycine 0 N--CA 1.439 -1.162 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.36 -24.66 29.62 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.197 0.523 . . . . 0.0 111.166 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 66.8 m-70 -108.32 93.06 4.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -174.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -128.9 145.71 51.14 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.588 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.719 ' HG ' ' HE1' ' A' ' 62' ' ' PHE . 5.4 t -97.2 118.05 32.77 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 167.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.46 -36.82 81.49 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.1 -18.12 63.94 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.197 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.5 m -109.88 -23.72 11.22 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.26 20.97 12.16 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.247 1.019 . . . . 0.0 110.987 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -115.13 168.73 9.68 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.503 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.409 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 98.4 m-85 -105.56 156.74 17.95 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.424 -172.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE1' HD23 ' A' ' 58' ' ' LEU . 85.2 m-85 -136.52 146.93 46.78 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 pt -79.18 -15.89 13.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.43 ' HB2' HD22 ' A' ' 57' ' ' ASN . 23.8 m-20 -136.3 152.3 50.54 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -73.87 -30.37 62.6 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 173.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 m -62.47 -37.61 86.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.99 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.43 HD22 ' HB2' ' A' ' 54' ' ' ASP . 11.2 m-80 -68.26 -44.19 76.14 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.114 0.483 . . . . 0.0 110.637 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.632 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.2 tm? -62.21 -49.63 74.98 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -62.13 -39.43 92.52 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.2 m -66.97 -29.8 69.75 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.803 0.811 . . . . 0.0 109.29 176.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 61.7 t60 -56.27 -28.13 57.58 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.606 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.719 ' HE1' ' HG ' ' A' ' 45' ' ' CYS . 10.7 m-85 -100.77 11.79 38.84 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 119.054 -1.059 . . . . 0.0 109.787 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.33 -31.17 69.43 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 m -71.78 117.11 12.95 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.556 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.71 -34.43 77.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.527 0.731 . . . . 0.0 112.663 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.78 -42.61 71.95 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.032 0.533 . . . . 0.0 112.217 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -63.09 -55.84 21.95 Favored 'General case' 0 CA--C 1.47 -2.116 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.039 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt . . . . . 0 C--N 1.277 -2.556 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.154 -175.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.477 0.545 0 N-CA-C 115.809 1.427 . . . . 0.0 115.809 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 56.29 2.62 Favored Glycine 0 CA--C 1.478 -2.238 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.6 11.39 53.29 Favored Glycine 0 N--CA 1.435 -1.414 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -175.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.6 -7.77 4.81 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.491 -0.354 . . . . 0.0 113.194 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.99 -30.65 24.04 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.841 0.321 . . . . 0.0 111.861 -175.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 94.3 m-70 -84.16 85.07 7.4 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -140.74 148.55 40.89 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.376 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.655 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.8 t -96.09 116.98 29.8 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.76 -34.59 78.69 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.15 -23.3 67.08 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.649 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -107.78 -19.24 13.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.06 22.57 12.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.228 0.611 . . . . 0.0 110.212 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HA ' ' HE ' ' A' ' 50' ' ' ARG . 5.0 mmp_? -104.51 148.83 26.03 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -105.54 134.83 48.01 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.831 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.493 ' CD1' HD23 ' A' ' 58' ' ' LEU . 55.4 m-85 -114.57 151.12 33.93 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.42 -31.67 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -148.2 174.84 11.57 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.299 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.59 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 32.6 t -78.06 -26.42 48.23 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.3 m -67.89 -44.88 75.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -62.67 -46.46 88.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.252 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -63.82 -47.5 80.56 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.683 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.31 -39.04 85.54 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.4 m -62.1 -33.4 74.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.132 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 68.5 t60 -62.14 -30.34 70.97 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.511 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.655 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 20.9 m-85 -95.25 -2.6 49.16 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 118.462 -1.295 . . . . 0.0 109.739 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -71.04 -17.88 62.59 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.4 m -71.24 97.5 1.56 Allowed 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 170.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.598 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -59.48 -26.37 65.2 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -175.124 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.6 -32.04 73.11 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -62.44 -56.17 20.77 Favored 'General case' 0 C--O 1.197 -1.689 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.407 -177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.588 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 50.3 mtpt . . . . . 0 C--N 1.278 -2.541 0 CA-C-O 121.269 0.557 . . . . 0.0 110.382 -175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 C--O 1.244 0.782 0 N-CA-C 111.089 -0.389 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.56 18.15 79.33 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.2 3.43 65.27 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.763 -0.719 . . . . 0.0 111.73 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.57 7.41 79.26 Favored Glycine 0 N--CA 1.432 -1.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -173.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -90.09 -18.91 25.01 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.438 0.637 . . . . 0.0 110.113 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.538 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 74.6 m-70 -120.96 96.22 5.02 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -138.33 150.05 46.22 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.562 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.1 t -96.53 116.06 28.46 Favored 'General case' 0 C--N 1.274 -2.702 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 169.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.5 -34.11 76.45 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.066 0.46 . . . . 0.0 111.141 -174.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -22.89 65.1 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.557 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.43 -18.86 13.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 65.89 25.8 11.13 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.687 0.795 . . . . 0.0 112.104 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -104.21 149.93 24.84 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.258 0.552 . . . . 0.0 110.192 176.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -105.76 123.56 48.14 Favored 'General case' 0 N--CA 1.407 -2.58 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.492 ' HB2' HD22 ' A' ' 58' ' ' LEU . 29.8 m-85 -115.63 151.04 35.73 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.7 mm -60.74 -33.86 56.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -152.43 162.89 40.56 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.947 -176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.538 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 33.5 t -66.97 -23.76 65.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 110.07 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.4 m -64.65 -32.99 74.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -70.74 -40.7 72.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.0 mm? -60.21 -53.24 60.06 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.331 174.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -54.74 -41.27 70.18 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 124.214 0.946 . . . . 0.0 110.614 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.431 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 86.0 m -63.3 -40.51 97.56 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.433 0.635 . . . . 0.0 110.046 174.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.83 -38.46 91.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.791 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.645 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 33.3 m-85 -86.53 14.38 6.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.058 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 14.6 mmm180 -70.53 -16.49 62.89 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.098 173.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.1 m -71.49 98.02 1.76 Allowed 'General case' 0 N--CA 1.411 -2.393 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.53 -34.3 75.63 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.915 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.45 -31.93 69.76 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.846 0.831 . . . . 0.0 109.756 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -69.06 -54.96 12.32 Favored 'General case' 0 CA--C 1.488 -1.421 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.612 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.645 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 27.4 mtpp . . . . . 0 C--N 1.302 -1.477 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.75 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 C--O 1.239 0.563 0 CA-C-O 121.226 0.428 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.578 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 68.41 20.33 73.44 Favored Glycine 0 CA--C 1.494 -1.267 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.752 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.82 11.8 63.61 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.509 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 72.61 8.89 73.11 Favored Glycine 0 N--CA 1.433 -1.549 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.99 -15.76 43.16 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.088 0.555 . . . . 0.0 111.707 -175.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 84.9 m-70 -122.43 101.02 7.25 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -144.05 156.26 44.31 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 121.64 0.733 . . . . 0.0 112.084 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.558 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 15.4 t -95.57 119.13 33.53 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.56 -37.52 86.49 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.226 0.536 . . . . 0.0 110.581 -177.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.49 64.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.016 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.18 -15.01 11.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.43 13.95 5.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.487 1.115 . . . . 0.0 112.11 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -104.64 152.47 22.42 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 55.5 m-85 -104.45 150.36 24.62 Favored 'General case' 0 N--CA 1.414 -2.265 0 O-C-N 123.825 0.703 . . . . 0.0 109.364 -174.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CE1' HD23 ' A' ' 58' ' ' LEU . 68.4 m-85 -128.87 146.63 50.89 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.578 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -61.64 -37.45 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.477 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -140.53 154.89 46.72 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 29.8 t -61.12 -28.73 69.31 Favored 'General case' 0 C--O 1.206 -1.206 0 O-C-N 123.39 0.431 . . . . 0.0 111.09 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.7 m -62.39 -38.15 88.53 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.18 0.514 . . . . 0.0 110.226 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -71.56 -38.1 71.0 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -67.66 -48.22 67.26 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.125 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.83 -43.5 77.06 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 123.994 0.918 . . . . 0.0 111.407 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.9 m -62.78 -30.22 71.29 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.52 0.676 . . . . 0.0 110.437 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 45.9 t60 -61.03 -30.82 70.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.473 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.9 m-85 -90.58 12.56 18.43 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 118.101 -1.44 . . . . 0.0 110.543 -178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.33 10.87 9.46 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 122.127 0.965 . . . . 0.0 110.617 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 t -97.07 109.69 22.39 Favored 'General case' 0 N--CA 1.412 -2.336 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -61.0 -42.25 98.1 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.1 -31.87 65.72 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 121.649 0.738 . . . . 0.0 111.422 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -66.98 -56.45 10.11 Favored 'General case' 0 CA--C 1.479 -1.768 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.431 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 48.6 mtpt . . . . . 0 C--N 1.28 -2.455 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.238 -176.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 C--O 1.245 0.854 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.34 32.72 84.57 Favored Glycine 0 CA--C 1.499 -0.955 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.99 1.11 31.14 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.382 -0.409 . . . . 0.0 112.326 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.34 88.62 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.98 -26.49 27.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.212 0.529 . . . . 0.0 111.394 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 82.5 m-70 -102.64 95.21 6.07 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -175.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 147.83 45.3 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.539 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 9.9 t -95.52 117.66 30.81 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.923 -1.49 . . . . 0.0 107.268 173.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.87 -34.36 75.87 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.334 0.396 . . . . 0.0 111.671 -176.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.38 -17.73 64.3 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.856 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.6 m -115.31 -18.64 11.02 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.5 20.21 9.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.994 0.918 . . . . 0.0 109.979 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -104.83 143.22 33.43 Favored 'General case' 0 CA--C 1.482 -1.638 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.771 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -104.72 140.87 37.43 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.427 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' CD1' HD23 ' A' ' 58' ' ' LEU . 79.2 m-85 -118.58 147.02 44.14 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.515 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -59.04 -32.18 47.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 124.339 1.056 . . . . 0.0 112.733 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -151.46 154.42 36.56 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.41 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 35.2 t -58.33 -31.85 67.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 123.373 0.669 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 20.6 m -64.06 -39.44 94.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -39.22 86.73 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 120.794 0.331 . . . . 0.0 110.655 177.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.603 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -64.88 -51.8 60.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.292 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 56' ' ' THR . 17.9 ptpt -63.36 -34.93 78.78 Favored 'General case' 0 C--N 1.298 -1.63 0 CA-C-O 120.892 0.377 . . . . 0.0 111.828 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -68.24 -30.29 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.884 0.849 . . . . 0.0 110.049 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 50.5 t60 -59.33 -29.08 67.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.629 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 23.5 m-85 -89.72 1.91 55.48 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.831 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -75.02 -10.7 59.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.471 0.653 . . . . 0.0 110.397 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 114.72 11.11 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.848 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.57 -38.02 66.19 Favored 'General case' 0 C--O 1.202 -1.435 0 C-N-CA 123.294 0.638 . . . . 0.0 111.467 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.6 -54.36 28.86 Favored 'General case' 0 CA--C 1.465 -2.294 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.502 -176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt . . . . . 0 N--CA 1.395 -3.189 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.043 -174.439 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo . . . . . 0 C--O 1.248 1.014 0 N-CA-C 110.611 -0.573 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.93 26.52 71.35 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.397 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.56 11.41 72.46 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.598 -0.301 . . . . 0.0 112.564 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.57 10.39 86.27 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.022 -0.608 . . . . 0.0 111.905 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.4 mt -90.24 -33.91 15.98 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-O 121.219 0.533 . . . . 0.0 111.197 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 70.6 m-70 -96.99 91.71 5.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -174.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.1 ptt180 -144.24 145.39 32.02 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.611 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.579 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 30.0 t -96.05 116.37 28.85 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 174.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.49 -40.12 95.69 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.387 0.43 . . . . 0.0 111.771 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.45 64.09 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.788 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.3 m -111.24 -13.28 14.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.11 19.71 7.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.708 0.803 . . . . 0.0 110.933 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -105.32 146.92 28.72 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.06 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' ARG . 96.6 m-85 -105.8 143.52 33.82 Favored 'General case' 0 N--CA 1.398 -3.037 0 CA-C-N 114.272 -1.331 . . . . 0.0 108.783 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CD1' HD23 ' A' ' 58' ' ' LEU . 67.9 m-85 -126.28 144.46 50.79 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.57 -21.81 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -148.25 153.88 39.32 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.992 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 36.9 t -63.2 -29.85 71.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 122.752 0.421 . . . . 0.0 111.034 -178.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.9 m -65.56 -38.3 89.19 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -66.36 -41.74 89.03 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 121.125 0.488 . . . . 0.0 110.853 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.637 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -66.25 -49.37 67.4 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.173 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.58 -35.89 77.97 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.1 m -63.12 -30.87 71.94 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.637 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 58.0 t60 -60.81 -28.77 69.04 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.686 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 16.4 m-85 -93.57 -8.53 40.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.58 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -68.98 -11.58 60.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.366 0.603 . . . . 0.0 111.168 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.8 m -75.02 105.31 5.98 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.4 -39.82 67.63 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.86 0.864 . . . . 0.0 112.067 -175.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.98 -33.19 62.29 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 123.797 0.839 . . . . 0.0 111.869 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -69.54 -49.06 57.92 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.782 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.629 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.5 mtpt . . . . . 0 C--N 1.26 -3.308 0 C-N-CA 119.829 -0.749 . . . . 0.0 109.996 -174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' O ' ' HB3' ' A' ' 51' ' ' TYR . 39.7 Cg_exo . . . . . 0 C--O 1.241 0.631 0 CA-C-O 121.491 0.538 . . . . 0.0 113.133 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 73.85 22.39 78.18 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.891 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.42 5.52 55.33 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.234 -0.483 . . . . 0.0 112.674 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.93 13.88 69.97 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.85 -35.17 11.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 122.765 0.426 . . . . 0.0 110.801 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 78.0 m-70 -102.29 90.38 3.89 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -176.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.13 148.73 45.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.752 0.787 . . . . 0.0 111.581 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.723 ' HG ' ' HE1' ' A' ' 62' ' ' PHE . 9.3 t -96.48 117.05 30.1 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 170.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.47 -34.14 77.59 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.396 0.435 . . . . 0.0 110.669 -175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.23 72.36 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.017 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -96.04 -23.35 16.85 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 28.56 18.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.935 0.874 . . . . 0.0 109.545 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.37 154.6 24.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.997 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 38' ' ' PRO . 54.8 m-85 -104.71 129.3 52.93 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.441 -177.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.496 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 75.9 m-85 -113.46 141.64 46.87 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.539 HD13 ' H ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -65.09 -40.36 88.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.906 -176.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.576 ' HB3' HD22 ' A' ' 57' ' ' ASN . 12.4 t70 -135.81 149.16 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.154 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.454 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -59.13 -34.36 71.95 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 123.771 0.669 . . . . 0.0 111.904 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.3 m -63.07 -35.77 81.35 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.525 0.679 . . . . 0.0 109.887 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.576 HD22 ' HB3' ' A' ' 54' ' ' ASP . 34.5 m-80 -68.12 -42.3 80.41 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.066 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.5 tm? -66.58 -47.34 73.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.717 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.611 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 8.8 mmpt? -58.24 -44.05 88.09 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.24 175.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.7 m -62.88 -33.57 75.56 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.588 0.709 . . . . 0.0 110.199 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 70.9 t60 -59.14 -29.24 67.27 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.487 -1.233 . . . . 0.0 113.198 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.723 ' HE1' ' HG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -97.42 4.74 50.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 117.477 -1.689 . . . . 0.0 110.703 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -78.73 -0.97 32.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -89.62 111.16 22.03 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -65.95 -25.76 67.27 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.787 -178.057 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.6 m-20 -64.04 -31.65 72.91 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 123.191 0.596 . . . . 0.0 111.362 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -66.32 -55.28 16.74 Favored 'General case' 0 CA--C 1.478 -1.79 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.367 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt . . . . . 0 C--N 1.271 -2.835 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.192 -174.741 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo . . . . . 0 C--O 1.245 0.86 0 N-CA-C 111.167 -0.359 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.12 73.44 Favored Glycine 0 N--CA 1.436 -1.32 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.378 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.27 0.97 67.91 Favored Glycine 0 N--CA 1.433 -1.564 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.76 -2.07 86.91 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -176.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -90.69 -37.07 13.97 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-O 121.131 0.491 . . . . 0.0 110.936 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.645 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 89.0 m-70 -89.16 86.43 6.87 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.52 0.676 . . . . 0.0 110.097 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -134.92 155.63 50.38 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.557 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.508 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 38.1 t -97.06 116.93 30.14 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.0 -39.18 90.06 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.225 0.536 . . . . 0.0 109.731 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -17.8 62.42 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.289 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -116.96 -10.46 10.95 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.2 17.42 6.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.716 0.806 . . . . 0.0 111.237 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -104.91 142.47 34.7 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -105.08 137.11 43.36 Favored 'General case' 0 N--CA 1.411 -2.375 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.425 ' CD1' HD23 ' A' ' 58' ' ' LEU . 72.4 m-85 -115.58 144.32 44.06 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -62.9 -25.34 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.592 ' HB3' HD22 ' A' ' 57' ' ' ASN . 25.3 t70 -145.7 151.63 38.32 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.645 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 30.5 p -57.14 -33.19 67.14 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 111.484 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -66.63 -33.24 75.21 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.592 HD22 ' HB3' ' A' ' 54' ' ' ASP . 39.2 m-80 -69.3 -42.04 75.97 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-O 121.415 0.626 . . . . 0.0 109.473 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -62.59 -50.51 71.01 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.688 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.73 -43.17 94.33 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.192 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -64.62 -31.57 72.85 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.334 0.588 . . . . 0.0 110.051 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.498 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 27.3 t60 -58.85 -30.11 67.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.029 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.686 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 24.7 m-85 -85.16 3.74 37.69 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.476 -1.29 . . . . 0.0 111.038 -178.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -67.7 -7.74 29.55 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.459 0.647 . . . . 0.0 111.002 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -72.16 97.62 1.98 Allowed 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 169.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.594 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -65.29 -25.8 67.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.471 -177.272 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.48 -34.69 78.48 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.864 0.84 . . . . 0.0 109.113 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -72.86 -47.73 43.59 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.293 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.686 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 51.8 mtmt . . . . . 0 C--N 1.285 -2.213 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.483 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 51' ' ' TYR . 24.5 Cg_exo . . . . . 0 C--O 1.245 0.857 0 N-CA-C 111.089 -0.389 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.86 20.3 75.93 Favored Glycine 0 CA--C 1.501 -0.792 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 64.6 15.05 59.01 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 -177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.425 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 75.75 5.27 78.7 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.205 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.7 -8.32 54.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.003 0.43 . . . . 0.0 111.825 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.504 ' HB3' HD23 ' A' ' 58' ' ' LEU . 82.7 m-70 -128.46 99.62 5.46 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.461 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.0 ptt180 -143.85 151.77 40.31 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-O 122.043 0.925 . . . . 0.0 113.089 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.626 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.5 t -96.4 117.14 30.26 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -42.24 98.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 123.749 0.82 . . . . 0.0 111.061 -175.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.253 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 100.0 m -96.95 -14.04 21.99 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.861 -0.736 . . . . 0.0 112.11 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.47 15.77 4.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.376 1.07 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 41.3 mmt180 -104.81 148.11 26.99 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 78.1 m-85 -104.23 141.16 36.77 Favored 'General case' 0 N--CA 1.397 -3.09 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 5.6 m-85 -121.76 152.94 38.91 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.6 pt -60.48 -33.55 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.09 160.26 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.84 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -65.04 -27.44 68.8 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.691 0.796 . . . . 0.0 111.578 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.3 p -60.32 -44.51 95.39 Favored 'General case' 0 N--CA 1.414 -2.232 0 CA-C-O 121.601 0.715 . . . . 0.0 110.027 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -60.3 -43.34 96.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.653 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.548 ' CD2' ' HB2' ' A' ' 52' ' ' PHE . 3.6 mm? -61.92 -54.46 41.65 Favored 'General case' 0 CA--C 1.479 -1.765 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.63 -36.2 78.05 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.915 -177.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.5 m -71.82 -34.0 68.97 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.71 0.767 . . . . 0.0 109.689 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.35 -37.52 87.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.134 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.626 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 39.5 m-85 -83.53 6.43 20.46 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.507 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -71.56 -6.16 38.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.219 0.533 . . . . 0.0 111.148 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -75.65 106.44 7.21 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.98 -37.99 84.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.008 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.88 -37.5 79.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.895 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -70.74 -45.4 64.93 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.119 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 46.0 mtmt . . . . . 0 C--N 1.268 -2.958 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.663 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--O 1.235 0.347 0 CA-C-O 121.119 0.383 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.33 -2.52 66.13 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.405 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.34 9.23 53.84 Favored Glycine 0 N--CA 1.438 -1.185 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.21 25.52 36.66 Favored Glycine 0 N--CA 1.431 -1.669 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -119.25 -165.68 1.17 Allowed 'General case' 1 N--CA 1.36 -4.944 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 39.66 66.64 0.55 Allowed 'General case' 0 C--N 1.281 -2.376 0 C-N-CA 126.123 1.769 . . . . 0.0 110.633 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -126.9 144.94 50.85 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.081 0.943 . . . . 0.0 113.379 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 26.5 t -94.82 117.37 30.02 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.02 -33.94 76.89 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.116 0.484 . . . . 0.0 110.697 -176.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.76 65.05 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.854 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.87 -14.45 10.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.77 14.99 5.51 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.332 1.053 . . . . 0.0 112.336 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 151.43 24.88 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -104.21 145.18 30.58 Favored 'General case' 0 N--CA 1.407 -2.608 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.433 ' CE1' HD23 ' A' ' 58' ' ' LEU . 61.7 m-85 -120.78 146.02 46.95 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 pt -71.47 -26.83 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.842 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -140.11 153.05 46.59 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.335 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -63.14 -31.32 72.43 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.559 0.744 . . . . 0.0 110.422 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.9 m -61.89 -42.64 99.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -66.86 -41.95 86.5 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 123.662 0.785 . . . . 0.0 110.818 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -65.73 -48.74 70.91 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.729 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.19 -42.96 92.1 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.8 m -62.1 -30.05 70.74 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.769 0.795 . . . . 0.0 110.32 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.652 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 41.6 t60 -60.5 -29.9 69.37 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.177 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.467 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.8 m-85 -91.09 8.99 32.79 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.409 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.29 -12.7 61.26 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.058 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 m -78.81 99.39 6.69 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -64.37 -25.46 68.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -175.292 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.457 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.0 t70 -61.36 -32.3 72.2 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 122.131 0.967 . . . . 0.0 109.876 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -68.05 -50.81 52.9 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.491 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.4 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 48.3 mtpt . . . . . 0 C--N 1.279 -2.463 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.433 -176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.242 0.704 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.09 133.74 45.66 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.327 2.018 . . . . 0.0 111.619 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t30 53.29 77.86 0.16 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 124.454 1.101 . . . . 0.0 112.69 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -167.54 90.07 0.33 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.892 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -83.99 -17.14 41.5 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 122.469 1.128 . . . . 0.0 108.904 174.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -104.18 169.17 8.64 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 113.502 -1.681 . . . . 0.0 109.617 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 12.2 t70 -104.74 135.39 19.31 Favored Pre-proline 0 C--N 1.305 -1.369 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 175.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -84.99 1.0 8.74 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.271 1.981 . . . . 0.0 115.097 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -103.11 -31.71 10.02 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.47 0.652 . . . . 0.0 109.997 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 3.7 mm? -90.56 133.47 32.72 Favored Pre-proline 0 C--N 1.297 -1.709 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.96 -176.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 32.0 Cg_exo -59.38 129.99 33.8 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 122.662 2.241 . . . . 0.0 111.04 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 76.37 21.54 75.15 Favored Glycine 0 CA--C 1.491 -1.41 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 34' ' ' ASP . . . 70.18 7.93 60.89 Favored Glycine 0 CA--C 1.493 -1.307 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.926 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.05 10.93 78.7 Favored Glycine 0 N--CA 1.437 -1.27 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -95.02 -10.87 29.6 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 123.211 0.604 . . . . 0.0 112.46 -173.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.64 99.46 6.18 Favored 'General case' 0 CA--C 1.485 -1.548 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -129.25 148.14 51.15 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.354 0.597 . . . . 0.0 110.893 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.583 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 19.2 t -97.27 115.81 28.32 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 163.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.8 -36.8 84.54 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 120.915 0.388 . . . . 0.0 111.233 -174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -17.86 65.0 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.741 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 78.8 m -114.19 -12.76 12.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.43 24.02 9.71 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.632 0.73 . . . . 0.0 110.557 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 99.5 mtt180 -105.42 143.52 33.47 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.907 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.61 128.3 53.54 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.498 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 76.1 m-85 -111.86 146.0 38.48 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 pt -61.89 -29.98 47.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -149.06 156.01 41.59 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.6 t -61.65 -32.77 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.561 0.538 . . . . 0.0 110.637 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.5 m -64.05 -40.14 95.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -68.2 -37.15 80.6 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.253 0.549 . . . . 0.0 111.227 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.535 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -67.55 -50.46 58.47 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.263 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.19 -34.27 77.71 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.5 m -64.32 -30.26 71.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.881 0.848 . . . . 0.0 109.703 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.535 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 33.7 t60 -63.69 -28.78 70.13 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.554 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 22.4 m-85 -85.65 6.71 26.27 Favored 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 118.478 -1.289 . . . . 0.0 110.62 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -75.06 3.41 8.53 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.841 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.6 m -85.08 104.75 15.27 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -59.48 -30.88 68.85 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.548 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 16.5 t70 -71.33 -30.48 66.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.742 0.782 . . . . 0.0 110.722 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.583 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.2 t60 -64.55 -52.72 56.21 Favored 'General case' 0 CA--C 1.487 -1.446 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 71' ' ' LEU . 47.8 mtmt -69.88 -29.28 66.45 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.331 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 73.0 tttt -58.02 -44.57 87.38 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.813 169.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -69.27 -31.32 69.76 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 72.4 mt -67.75 -39.0 84.22 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.973 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.13 -41.24 97.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.462 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.4 -40.33 81.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.189 0.519 . . . . 0.0 111.029 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.1 tp -78.94 -16.59 56.78 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.031 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t 77.42 23.07 0.89 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.423 1.089 . . . . 0.0 110.954 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.68 -58.91 5.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.02 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -142.9 96.83 5.94 Favored Pre-proline 0 N--CA 1.427 -1.6 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.639 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.84 126.32 15.75 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 122.249 1.966 . . . . 0.0 108.88 173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.501 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 97.6 m-85 69.77 90.87 0.09 Allowed 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.89 0.876 . . . . 0.0 110.25 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.7 t -103.37 -165.89 1.21 Allowed 'General case' 0 N--CA 1.418 -2.052 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.66 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -69.8 150.45 46.85 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 80.2 -0.24 2.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.119 1.368 . . . . 0.0 110.083 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' OE1' ' HA ' ' A' ' 79' ' ' TYR . 44.1 tt0 -128.83 -60.12 1.1 Allowed 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.205 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.501 ' HB2' ' HB3' ' A' ' 79' ' ' TYR . . . -99.2 23.07 9.61 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.31 1.052 . . . . 0.0 109.932 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.8 93.41 0.11 Allowed 'General case' 0 N--CA 1.398 -3.05 0 N-CA-C 104.034 -2.58 . . . . 0.0 104.034 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 4.2 ppt_? -123.52 148.82 45.91 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -174.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.47 39.98 1.43 Allowed 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.29 79.99 1.94 Allowed 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.315 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.98 -120.96 0.55 Allowed Glycine 0 C--N 1.277 -2.7 0 CA-C-N 114.018 -1.446 . . . . 0.0 110.69 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.58 92.19 0.05 Allowed 'General case' 0 C--O 1.243 0.739 0 C-N-CA 124.343 1.057 . . . . 0.0 110.109 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -121.34 66.54 0.45 Allowed Glycine 0 N--CA 1.428 -1.895 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.6 m -115.13 116.02 27.71 Favored 'General case' 0 N--CA 1.425 -1.697 0 CA-C-O 120.864 0.364 . . . . 0.0 110.743 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -114.15 160.46 18.94 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.259 1.553 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 178.079 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -63.35 -177.17 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 123.017 2.478 . . . . 0.0 111.849 176.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.12 -34.97 75.82 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 65.66 90.17 0.09 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.375 1.07 . . . . 0.0 111.442 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.96 -24.57 52.31 Favored 'General case' 0 N--CA 1.426 -1.648 0 CA-C-O 121.723 0.773 . . . . 0.0 109.189 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 47.3 p90 -82.57 167.97 17.81 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.877 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 12.0 t70 -92.19 122.66 64.46 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 34' ' ' ASP . 6.1 Cg_exo -72.79 -10.0 24.44 Favored 'Trans proline' 0 C--O 1.245 0.861 0 C-N-CA 122.661 2.24 . . . . 0.0 114.253 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -88.15 -33.42 18.21 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 8.5 mp -89.73 139.66 27.86 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.593 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 25.3 Cg_exo -61.74 114.77 2.41 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.258 1.972 . . . . 0.0 111.761 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.93 20.86 72.99 Favored Glycine 0 CA--C 1.505 -0.541 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.491 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 69.94 7.85 60.0 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 -177.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 76.95 3.52 80.99 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.885 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.4 -9.2 58.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.238 0.615 . . . . 0.0 111.656 -175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -127.36 99.3 5.58 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.8 ptt180 -145.81 151.35 37.78 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.771 0.796 . . . . 0.0 112.956 -178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.505 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 23.5 t -97.05 117.74 31.9 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 113.98 -1.464 . . . . 0.0 107.114 171.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.0 -36.88 85.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.991 0.424 . . . . 0.0 111.114 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.03 -24.05 67.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.192 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.86 -14.59 14.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 64.1 12.46 7.02 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.401 1.08 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -106.14 154.52 20.56 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 120.209 -0.597 . . . . 0.0 110.159 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 85.8 m-85 -105.14 145.85 30.0 Favored 'General case' 0 N--CA 1.406 -2.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.483 ' CD1' HD23 ' A' ' 58' ' ' LEU . 76.9 m-85 -120.08 153.5 36.02 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 pt -63.44 -39.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.09 177.77 8.71 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.195 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -70.57 -31.78 68.93 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -64.17 -47.11 81.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.253 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -63.22 -40.21 96.81 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.484 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.586 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -63.13 -50.49 70.24 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.809 176.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.03 -34.79 78.32 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -61.36 -30.3 70.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.994 0.902 . . . . 0.0 109.488 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.586 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 34.5 t60 -65.47 -28.89 69.54 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.565 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 22.8 m-85 -91.06 14.03 15.16 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.076 -1.05 . . . . 0.0 110.243 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.584 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 3.6 mmp_? -75.9 2.57 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -91.35 108.98 20.25 Favored 'General case' 0 N--CA 1.42 -1.927 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -58.58 -35.59 72.64 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.542 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 6.9 m-20 -64.95 -30.07 71.04 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.123 0.969 . . . . 0.0 112.052 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -71.76 -56.09 6.41 Favored 'General case' 0 CA--C 1.478 -1.822 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.79 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.1 mtpt -64.52 -28.8 69.9 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.789 -178.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 77.3 tttt -54.63 -47.97 72.82 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.098 170.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -62.6 -34.71 77.57 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.292 0.567 . . . . 0.0 110.158 -177.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.12 -35.63 80.16 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.282 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -74.71 -27.85 60.55 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.765 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -68.4 -39.78 81.54 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 74' ' ' LEU . 6.0 tt -74.12 -30.93 62.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.0 t 71.78 86.83 0.11 Allowed 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 125.951 1.7 . . . . 0.0 110.362 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.407 HG23 ' OE2' ' A' ' 77' ' ' GLU . 11.5 m -74.29 -37.95 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.039 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.017 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' OE2' HG23 ' A' ' 76' ' ' VAL . 6.6 mp0 -84.45 154.63 62.67 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 170.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -66.71 129.42 21.01 Favored 'Trans proline' 0 C--O 1.252 1.22 0 C-N-CA 121.81 1.673 . . . . 0.0 110.088 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 67.36 169.15 0.25 Allowed 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.394 1.078 . . . . 0.0 112.779 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -89.07 179.79 6.07 Favored 'General case' 0 N--CA 1.396 -3.127 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -39.65 88.98 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -89.17 66.62 7.74 Favored 'General case' 0 C--N 1.259 -3.334 0 CA-C-O 122.383 1.087 . . . . 0.0 109.227 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 172.54 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 112.356 -2.202 . . . . 0.0 107.042 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -141.87 103.8 4.4 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.115 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.51 -67.62 0.84 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 62.88 69.57 0.58 Allowed 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.989 -1.46 . . . . 0.0 111.14 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.25 -85.63 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.229 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 168.34 97.19 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.214 1.405 . . . . 0.0 108.245 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.85 -118.78 3.42 Favored Glycine 0 N--CA 1.435 -1.379 0 C-N-CA 120.219 -0.991 . . . . 0.0 111.194 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 87.2 mtp -84.83 95.71 9.07 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.178 0.513 . . . . 0.0 109.881 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.16 -24.1 12.01 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m 68.44 129.83 0.03 OUTLIER 'General case' 0 C--O 1.235 0.324 0 C-N-CA 124.726 1.211 . . . . 0.0 112.958 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -83.7 95.34 8.36 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 122.356 1.074 . . . . 0.0 109.351 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.261 -3.265 0 CA-C-N 113.145 -1.843 . . . . 0.0 107.729 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 CA--C 1.514 -0.419 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -85.1 -169.66 0.66 Allowed 'Trans proline' 0 CA--C 1.511 -0.673 0 C-N-CA 122.658 2.239 . . . . 0.0 110.89 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.84 -26.92 67.88 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 75.83 79.51 0.1 Allowed 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 125.75 1.62 . . . . 0.0 111.95 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -124.11 95.27 4.49 Favored 'General case' 0 N--CA 1.39 -3.474 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -127.17 156.13 42.3 Favored 'General case' 0 C--N 1.254 -3.555 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.041 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.73 126.57 75.29 Favored Pre-proline 0 C--N 1.302 -1.463 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -91.33 8.91 3.08 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.222 1.948 . . . . 0.0 114.702 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -107.85 -34.1 7.04 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mp -91.63 131.91 34.67 Favored Pre-proline 0 C--N 1.3 -1.572 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.832 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.1 140.7 93.78 Favored 'Trans proline' 0 C--O 1.252 1.199 0 C-N-CA 122.641 2.227 . . . . 0.0 112.065 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 69.58 30.63 70.83 Favored Glycine 0 CA--C 1.502 -0.771 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.245 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.87 7.33 58.82 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.631 -0.285 . . . . 0.0 113.027 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.67 9.43 86.28 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.098 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.38 -12.82 22.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -126.72 100.78 6.34 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.083 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.504 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.09 147.22 38.19 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-O 121.39 0.614 . . . . 0.0 112.345 178.036 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.442 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.9 t -97.04 116.19 28.8 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 169.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.78 -32.64 74.06 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.362 0.601 . . . . 0.0 110.931 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.65 -18.32 65.31 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.63 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 74.1 m -117.95 -11.24 10.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.12 7.2 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.95 0.9 . . . . 0.0 111.097 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.2 mmt180 -105.79 143.81 33.41 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.418 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.504 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 44.2 m-85 -105.24 142.98 34.05 Favored 'General case' 0 N--CA 1.406 -2.663 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.175 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CE1' HD23 ' A' ' 58' ' ' LEU . 70.4 m-85 -121.36 149.65 42.65 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.123 -176.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -62.34 -29.75 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.544 ' HB3' HD22 ' A' ' 57' ' ' ASN . 26.6 t70 -148.65 157.61 43.57 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -62.4 -32.15 72.93 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 123.355 0.409 . . . . 0.0 110.686 -178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.7 m -66.07 -36.71 83.93 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.782 0.325 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.544 HD22 ' HB3' ' A' ' 54' ' ' ASP . 36.7 m-80 -69.77 -39.15 76.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 121.237 0.541 . . . . 0.0 110.419 177.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.611 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.1 tm? -64.57 -49.24 71.97 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.089 176.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.75 -37.45 79.04 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.916 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' ' 63' ' ' ARG . 90.8 m -63.51 -29.78 71.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 122.227 1.013 . . . . 0.0 110.342 176.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.611 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 25.1 t60 -62.99 -28.64 70.24 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.906 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 21.7 m-85 -89.09 15.9 8.0 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 118.971 -1.092 . . . . 0.0 110.826 -178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 60' ' ' THR . 6.5 mpt_? -67.79 -11.03 57.64 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 119.465 -0.894 . . . . 0.0 110.551 171.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 p -72.94 107.1 5.13 Favored 'General case' 0 N--CA 1.422 -1.845 0 C-N-CA 124.096 0.958 . . . . 0.0 109.642 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.611 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -68.95 -33.05 73.09 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.611 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.6 t70 -72.7 -31.36 64.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-O 121.43 0.633 . . . . 0.0 109.711 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.674 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 16.0 t60 -64.11 -51.3 64.61 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.695 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 48.3 mtmt -70.05 -29.77 66.87 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.662 -178.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -66.04 -39.95 90.59 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -62.8 -32.36 73.52 Favored 'General case' 0 C--O 1.213 -0.844 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 76.0 mt -75.58 -44.11 44.87 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.249 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -65.82 -39.05 90.47 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.974 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -78.17 -21.38 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.369 0.604 . . . . 0.0 110.872 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 74' ' ' LEU . 6.3 tt -76.55 -27.7 56.0 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -70.87 161.55 30.8 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.435 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.8 t -88.07 -46.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 120.772 0.32 . . . . 0.0 111.849 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.55 -52.1 72.23 Favored Pre-proline 0 CA--C 1.564 1.51 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -74.82 160.67 40.39 Favored 'Trans proline' 0 C--N 1.363 1.327 0 C-N-CA 121.696 1.597 . . . . 0.0 111.729 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 64.83 115.64 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.413 1.085 . . . . 0.0 112.979 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.0 m -76.21 104.2 6.62 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 64.1 tt0 -71.19 72.95 0.65 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.217 -174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -163.2 -54.53 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 128.056 2.542 . . . . 0.0 105.475 175.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -78.72 -32.85 47.02 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 113.732 -1.576 . . . . 0.0 109.396 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.482 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -129.45 104.48 7.5 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -117.74 65.61 0.74 Allowed 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 70.33 -24.77 0.16 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.861 1.265 . . . . 0.0 114.068 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 71.69 87.34 0.11 Allowed 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 125.04 1.336 . . . . 0.0 111.279 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.54 -23.56 21.98 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.331 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 -14.91 52.81 Favored Glycine 0 C--N 1.318 -0.422 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.799 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.9 mtt -88.3 136.6 32.9 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 122.72 0.408 . . . . 0.0 110.157 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.12 -73.35 0.05 OUTLIER Glycine 0 N--CA 1.436 -1.333 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.1 p -82.49 99.46 9.48 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -147.37 139.34 24.29 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 118.827 -0.606 . . . . 0.0 109.994 -178.536 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--O 1.237 0.398 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -51.74 133.91 46.06 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 123.295 2.664 . . . . 0.0 113.437 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 62.71 13.99 6.87 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.741 1.216 . . . . 0.0 112.096 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.59 86.28 2.55 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.188 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -62.9 -39.92 95.98 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.018 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -64.91 141.84 58.64 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.342 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 12.4 t70 -90.03 128.09 51.16 Favored Pre-proline 0 C--N 1.298 -1.671 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 34' ' ' ASP . 21.5 Cg_exo -66.84 -18.65 52.88 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 122.908 2.406 . . . . 0.0 115.08 -178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -81.58 -30.49 32.98 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-O 121.887 0.851 . . . . 0.0 109.451 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 6.1 mp -85.46 132.58 44.38 Favored Pre-proline 0 C--N 1.293 -1.874 0 CA-C-N 114.509 -1.223 . . . . 0.0 108.842 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 31.9 Cg_exo -59.63 106.09 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.175 1.917 . . . . 0.0 110.814 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.44 30.66 76.95 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.61 6.45 55.09 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 111.749 -0.541 . . . . 0.0 111.749 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.48 12.78 77.39 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.35 -23.81 19.12 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-O 121.017 0.437 . . . . 0.0 110.949 -177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.567 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 79.9 m-70 -110.14 96.54 6.29 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -142.85 161.12 38.95 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 121.609 0.719 . . . . 0.0 112.213 -178.694 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.608 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 31.8 t -95.23 116.53 28.88 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.94 -38.64 82.99 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 123.521 0.513 . . . . 0.0 111.224 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.48 -27.35 66.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.929 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.6 m -101.69 -15.34 17.03 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 63.22 11.42 5.33 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.482 1.113 . . . . 0.0 112.122 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 79.4 mtp180 -105.35 149.09 26.38 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.146 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -104.69 145.82 29.8 Favored 'General case' 0 N--CA 1.405 -2.682 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.962 -173.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD1' HD23 ' A' ' 58' ' ' LEU . 76.2 m-85 -124.77 146.13 49.37 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -58.38 -27.99 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 57' ' ' ASN . 23.9 t70 -149.94 153.84 37.28 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.567 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 40.7 t -58.32 -33.95 70.07 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.158 0.583 . . . . 0.0 111.233 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -37.2 85.88 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 120.947 0.403 . . . . 0.0 110.094 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.524 HD22 ' HB3' ' A' ' 54' ' ' ASP . 31.0 m-80 -66.84 -41.61 87.14 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.4 tm? -62.11 -50.34 72.3 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.666 176.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 55' ' ' SER . 68.0 mttm -57.21 -39.67 75.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.594 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.9 m -63.24 -30.34 71.5 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 121.693 0.758 . . . . 0.0 110.489 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.541 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 29.0 t60 -62.61 -28.59 70.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.602 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.608 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 24.0 m-85 -91.1 13.44 16.9 Favored 'General case' 0 C--O 1.206 -1.207 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.032 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -67.89 -11.53 58.88 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.62 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -78.87 103.46 8.83 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.344 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -33.87 76.69 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.552 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 19.7 t70 -62.36 -31.69 72.37 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 122.053 0.93 . . . . 0.0 109.894 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -71.95 -49.71 35.17 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 29.1 mtpp -66.16 -29.28 69.54 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.945 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 52.3 tptt -55.53 -44.0 76.3 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.808 0.843 . . . . 0.0 110.724 171.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.69 -40.15 86.9 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 74' ' ' LEU . 10.2 mp -76.86 -29.42 55.83 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.318 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.88 -40.76 89.8 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 123.65 0.78 . . . . 0.0 112.299 -176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -69.47 -22.09 63.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.785 0.803 . . . . 0.0 110.235 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 87.5 mt -88.91 -15.12 35.15 Favored 'General case' 0 N--CA 1.424 -1.767 0 C-N-CA 125.653 1.581 . . . . 0.0 110.436 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.0 m 87.68 -60.58 0.03 OUTLIER 'General case' 0 C--O 1.248 0.994 0 C-N-CA 127.097 2.159 . . . . 0.0 107.379 -168.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -155.96 -68.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 164.68 151.02 0.05 OUTLIER Pre-proline 0 C--N 1.314 -0.957 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -46.74 106.55 0.1 Allowed 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.737 1.625 . . . . 0.0 109.843 172.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -80.25 162.87 24.39 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 t -146.82 165.27 30.2 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-O 121.603 0.715 . . . . 0.0 111.063 -173.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -79.03 5.63 11.33 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.936 1.35 . . . . 0.0 109.667 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -76.0 -5.9 48.51 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.848 -1.524 . . . . 0.0 110.259 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -113.75 -59.77 1.97 Allowed 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.783 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -108.76 113.02 25.63 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.414 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.47 -13.58 60.72 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.476 0.485 . . . . 0.0 111.957 -177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 70.28 98.33 0.06 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.505 1.122 . . . . 0.0 112.572 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.16 28.12 17.67 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.518 0.727 . . . . 0.0 112.76 175.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.1 61.24 5.73 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 122.45 1.119 . . . . 0.0 109.949 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -156.01 144.83 11.33 Favored Glycine 0 C--N 1.286 -2.208 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.276 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 65.0 83.87 0.16 Allowed 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.41 1.084 . . . . 0.0 111.955 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.58 37.57 1.36 Allowed Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.556 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.9 p -121.16 84.79 2.29 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 120.622 0.248 . . . . 0.0 110.426 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 68.1 t80 64.28 160.16 0.1 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.793 1.237 . . . . 0.0 112.017 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.313 -1.018 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.936 178.551 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.238 0.487 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.11 150.51 78.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.987 2.458 . . . . 0.0 111.604 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 t30 57.64 82.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.175 0.99 . . . . 0.0 111.887 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -146.41 48.44 1.19 Allowed 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -79.0 90.23 4.78 Favored 'General case' 0 N--CA 1.426 -1.662 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.846 -176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.4 p90 177.89 167.28 0.72 Allowed 'General case' 0 C--N 1.254 -3.582 0 CA-C-N 112.347 -2.206 . . . . 0.0 109.06 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.15 98.81 3.68 Favored Pre-proline 0 N--CA 1.43 -1.443 0 C-N-CA 123.715 0.806 . . . . 0.0 111.471 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.4 -14.57 34.19 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 122.892 2.395 . . . . 0.0 112.721 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.8 -30.36 62.69 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 9.2 mp -93.31 143.89 27.41 Favored Pre-proline 0 C--N 1.302 -1.488 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.251 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 45.7 Cg_exo -56.77 129.08 32.71 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.336 2.69 . . . . 0.0 112.574 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 71.04 21.11 78.31 Favored Glycine 0 CA--C 1.497 -1.062 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.917 178.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.79 18.28 72.17 Favored Glycine 0 N--CA 1.437 -1.272 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.47 -2.28 31.0 Favored Glycine 0 N--CA 1.442 -0.916 0 O-C-N 123.938 0.434 . . . . 0.0 112.595 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.04 0.71 34.62 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 76.8 m-70 -135.13 102.67 5.27 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -142.85 152.19 41.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.222 0.534 . . . . 0.0 112.228 178.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.506 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.7 t -96.03 119.3 34.27 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.72 -30.97 70.59 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.257 0.551 . . . . 0.0 111.09 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -16.49 63.84 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.391 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.0 m -117.24 -26.41 6.77 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 68.71 14.06 8.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.213 1.005 . . . . 0.0 112.099 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -105.45 153.74 21.29 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -105.28 152.65 22.64 Favored 'General case' 0 N--CA 1.414 -2.261 0 C-N-CA 123.696 0.799 . . . . 0.0 110.278 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CE1' HD23 ' A' ' 58' ' ' LEU . 64.1 m-85 -127.49 145.92 50.68 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.207 -178.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.419 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 28.5 pt -63.27 -29.54 47.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.598 ' HB3' HD22 ' A' ' 57' ' ' ASN . 13.9 t70 -146.95 154.2 40.98 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.9 t -61.08 -31.6 71.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.531 0.519 . . . . 0.0 111.012 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.5 m -61.36 -43.17 99.32 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.598 HD22 ' HB3' ' A' ' 54' ' ' ASP . 37.4 m-80 -61.79 -46.24 90.41 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.364 0.665 . . . . 0.0 110.38 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.634 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.6 tm? -60.06 -49.19 78.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.67 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -63.04 -38.91 93.07 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.556 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -65.03 -31.0 72.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.833 0.825 . . . . 0.0 109.618 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.634 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 37.5 t60 -56.74 -28.41 61.06 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.221 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.524 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 16.9 m-85 -92.59 7.34 43.75 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 119.104 -1.039 . . . . 0.0 111.091 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 5.4 mmp_? -64.23 -24.88 67.83 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.006 0.431 . . . . 0.0 110.865 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.9 m -73.58 101.99 3.75 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -63.63 -25.61 68.3 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.148 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -54.48 -35.42 63.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.8 0.84 . . . . 0.0 111.007 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.608 ' O ' HD13 ' A' ' 71' ' ' LEU . 5.1 t60 -67.42 -56.83 8.05 Favored 'General case' 0 CA--C 1.467 -2.24 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.034 -178.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.608 ' O ' ' HD3' ' A' ' 72' ' ' LYS . 52.2 mtmt -70.32 -28.99 65.6 Favored 'General case' 0 C--N 1.281 -2.397 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.569 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.17 -39.82 91.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.809 171.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -62.86 -30.17 71.31 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.533 0.682 . . . . 0.0 109.246 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 67' ' ' HIS . 8.9 mp -71.16 -44.26 65.86 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.668 1.187 . . . . 0.0 110.54 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.608 ' HD3' ' O ' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -68.1 -35.21 77.79 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.573 177.159 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -63.48 -39.78 95.36 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 74' ' ' LEU . 3.2 tm? -70.0 -30.51 67.85 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.0 m 73.15 91.68 0.09 Allowed 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 125.447 1.499 . . . . 0.0 110.738 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -91.59 -67.5 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.939 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' HB3' ' HD3' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -173.17 -60.99 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.252 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.824 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 77' ' ' GLU . 94.4 Cg_endo -78.97 149.55 22.78 Favored 'Trans proline' 0 C--N 1.369 1.646 0 C-N-CA 121.422 1.415 . . . . 0.0 111.518 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -156.93 159.8 38.46 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.597 ' O ' ' HB3' ' A' ' 83' ' ' GLU . 12.1 m -93.61 142.46 27.32 Favored 'General case' 0 N--CA 1.392 -3.36 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -70.48 148.97 47.67 Favored 'General case' 0 C--N 1.271 -2.841 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.152 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HA ' ' HB2' ' A' ' 85' ' ' GLU . 37.1 tt0 78.44 -38.91 0.24 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.256 1.422 . . . . 0.0 110.408 -173.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.597 ' HB3' ' O ' ' A' ' 80' ' ' SER . 37.6 tt0 -58.08 -50.24 74.15 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 124.525 1.13 . . . . 0.0 109.693 174.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.14 6.75 45.41 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.566 0.698 . . . . 0.0 112.053 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 67.6 mm-40 -97.8 -71.95 0.67 Allowed 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.901 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -132.24 100.14 4.92 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.942 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.06 -26.28 27.09 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.75 85.13 0.21 Allowed 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.36 44.85 1.11 Allowed Glycine 0 N--CA 1.435 -1.421 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.584 -174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.4 ttt -161.42 120.47 2.48 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.77 -135.96 4.39 Favored Glycine 0 N--CA 1.42 -2.39 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -95.01 108.3 20.36 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.032 0.444 . . . . 0.0 110.278 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -136.96 123.3 20.67 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.267 0.556 . . . . 0.0 109.69 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--N 1.291 -1.951 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.498 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 CA--C 1.51 -0.585 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -51.58 164.1 1.01 Allowed 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 122.191 1.928 . . . . 0.0 111.491 173.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.516 HD22 ' HB3' ' A' ' 32' ' ' GLU . 9.5 t30 -61.45 -24.56 66.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.175 0.512 . . . . 0.0 111.368 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 69.26 32.08 3.72 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.464 1.105 . . . . 0.0 112.253 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.516 ' HB3' HD22 ' A' ' 30' ' ' ASN . 7.9 tm-20 -128.73 125.41 37.88 Favored 'General case' 0 C--N 1.279 -2.498 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -136.68 -175.66 4.09 Favored 'General case' 0 C--N 1.268 -2.959 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.838 -175.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.93 123.49 25.79 Favored Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 123.518 0.511 . . . . 0.0 110.836 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -80.92 -14.64 10.98 Favored 'Trans proline' 0 C--O 1.239 0.527 0 C-N-CA 122.751 2.3 . . . . 0.0 113.857 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -82.46 -32.66 28.8 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.37 132.42 30.44 Favored Pre-proline 0 C--N 1.294 -1.809 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.069 175.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -62.61 119.9 7.19 Favored 'Trans proline' 0 C--O 1.241 0.63 0 C-N-CA 122.517 2.144 . . . . 0.0 110.92 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.68 27.83 73.03 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.07 7.56 59.86 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.04 83.38 Favored Glycine 0 N--CA 1.438 -1.198 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt -85.77 -24.28 26.92 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.799 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.472 ' HB3' HD23 ' A' ' 58' ' ' LEU . 60.7 m-70 -109.5 96.48 6.31 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -176.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -139.63 150.12 44.58 Favored 'General case' 0 C--N 1.28 -2.431 0 CA-C-O 121.965 0.888 . . . . 0.0 111.998 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.619 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 12.2 t -96.63 116.89 29.86 Favored 'General case' 0 C--N 1.272 -2.785 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 170.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.58 -36.58 84.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.975 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -18.28 65.23 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.963 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 95.2 m -112.72 -16.01 12.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 178.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.79 18.53 7.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.422 0.689 . . . . 0.0 110.713 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 94.9 mtt180 -105.93 141.97 36.43 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.083 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 90.7 m-85 -105.51 138.39 41.79 Favored 'General case' 0 N--CA 1.398 -3.046 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 24.8 m-85 -122.51 154.54 37.72 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 pt -70.15 -21.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 57' ' ' ASN . 30.2 t70 -148.68 153.25 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.838 -177.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.0 t -66.61 -26.1 66.93 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.695 0.798 . . . . 0.0 111.573 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -70.7 -30.14 66.62 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 89.9 m-20 -66.8 -43.52 83.65 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.769 175.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.0 mm? -58.78 -51.28 70.65 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.251 0.548 . . . . 0.0 111.008 172.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 58.8 tttm -53.19 -43.69 67.35 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.668 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.427 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 45.6 m -71.91 -31.84 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.006 0.907 . . . . 0.0 109.953 176.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -65.15 -35.33 80.76 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.526 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.619 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 30.6 m-85 -91.79 4.51 52.68 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 118.822 -1.151 . . . . 0.0 111.106 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 4.1 mmp_? -67.99 -32.94 73.69 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.073 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 m -65.6 109.55 2.42 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.634 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -58.34 -31.22 67.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.386 -178.208 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.79 -33.77 64.69 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.776 1.231 . . . . 0.0 111.582 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.54 ' O ' HD13 ' A' ' 71' ' ' LEU . 2.4 t60 -68.26 -56.59 8.09 Favored 'General case' 0 CA--C 1.465 -2.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.501 -177.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 48.0 mtmt -70.91 -27.85 64.09 Favored 'General case' 0 N--CA 1.402 -2.849 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.646 -174.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 52.4 tttm -63.4 -37.91 89.1 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.677 169.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HD2' ' OE1' ' A' ' 73' ' ' GLN . 32.3 tpt180 -65.43 -30.78 71.62 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 67' ' ' HIS . 10.1 mp -73.53 -29.77 62.67 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.074 177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 69' ' ' LYS . 17.6 tppt? -65.81 -39.99 91.42 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 173.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.404 ' OE1' ' HD2' ' A' ' 70' ' ' ARG . 96.1 mt-30 -71.88 -27.99 63.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.049 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 tp -76.08 -22.44 55.6 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 123.537 0.735 . . . . 0.0 111.28 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.0 m -65.21 149.32 50.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.198 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.42 -8.1 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 122.083 0.944 . . . . 0.0 110.083 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.0 156.96 90.47 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.779 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.8 120.76 7.56 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 123.235 2.623 . . . . 0.0 110.824 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.435 ' HB2' ' HB2' ' A' ' 83' ' ' GLU . 20.7 m-85 -78.9 -35.42 43.58 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.755 -170.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.2 m 72.36 -61.25 0.5 Allowed 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 125.316 1.446 . . . . 0.0 110.066 -173.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HG2' ' OE2' ' A' ' 82' ' ' GLU . 53.5 tt0 -98.53 149.16 23.02 Favored 'General case' 0 C--N 1.272 -2.761 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 175.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' OE2' ' HG2' ' A' ' 81' ' ' GLN . 2.6 mp0 64.06 32.26 12.97 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -169.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 79' ' ' TYR . 38.4 tt0 -159.53 -50.55 0.06 Allowed 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.523 -175.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -139.09 -48.93 0.5 Allowed 'General case' 0 CA--C 1.479 -1.753 0 CA-C-O 121.95 0.881 . . . . 0.0 112.133 -172.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.35 81.37 0.21 Allowed 'General case' 0 C--N 1.245 -3.94 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.812 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -110.84 99.58 8.47 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.11 -176.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.01 -57.61 0.91 Allowed 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 173.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.16 -35.73 0.31 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.144 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.91 -124.46 8.26 Favored Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.613 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -142.59 137.3 29.97 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -85.58 -123.17 1.29 Allowed Glycine 0 N--CA 1.441 -1.029 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.235 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m -113.18 97.51 6.54 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 121.026 0.441 . . . . 0.0 110.989 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -87.77 82.1 7.43 Favored 'General case' 0 N--CA 1.406 -2.629 0 CA-C-O 122.43 1.11 . . . . 0.0 111.323 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.262 -3.214 0 CA-C-N 113.199 -1.819 . . . . 0.0 108.604 176.383 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.239 0.509 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -59.33 -163.96 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 124.322 3.348 . . . . 0.0 113.961 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -65.03 -2.4 2.7 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.39 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 70.75 40.83 0.95 Allowed 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 125.005 1.322 . . . . 0.0 113.487 172.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -108.64 101.59 10.73 Favored 'General case' 0 N--CA 1.401 -2.922 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -138.92 131.61 29.02 Favored 'General case' 0 C--N 1.267 -2.996 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.406 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 10.1 t70 -79.73 124.63 83.42 Favored Pre-proline 0 C--N 1.304 -1.374 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' ASP . 3.8 Cg_endo -80.82 -9.67 13.11 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 121.744 1.629 . . . . 0.0 114.302 -176.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -93.6 -31.38 14.53 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.21 126.94 53.21 Favored Pre-proline 0 C--N 1.31 -1.145 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.45 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -44.59 -63.43 0.33 Allowed 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 124.078 3.185 . . . . 0.0 117.419 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.61 52.96 4.8 Favored Glycine 0 CA--C 1.485 -1.827 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.436 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.07 22.02 54.39 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.48 48.71 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.395 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.06 -4.14 14.55 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.444 ' HB3' HD23 ' A' ' 58' ' ' LEU . 77.4 m-70 -128.87 102.4 6.52 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.614 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' HD2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.91 147.9 37.82 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.204 179.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.687 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 18.2 t -96.73 116.01 28.41 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 168.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.57 -34.32 75.61 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.451 0.643 . . . . 0.0 110.571 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.26 66.86 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.661 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.1 m -109.88 -4.85 15.74 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 54.7 26.3 7.39 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.198 0.999 . . . . 0.0 111.787 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -129.35 152.82 48.49 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.321 0.581 . . . . 0.0 111.195 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.525 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 29.6 m-85 -108.2 143.19 37.35 Favored 'General case' 0 N--CA 1.408 -2.532 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.436 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 9.2 m-85 -122.12 162.23 21.64 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.6 pt -66.65 -31.24 52.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -177.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -150.44 169.82 20.55 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.551 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.4 t -75.67 -25.37 56.71 Favored 'General case' 0 C--O 1.217 -0.655 0 C-N-CA 122.985 0.514 . . . . 0.0 111.206 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.7 m -68.1 -35.63 78.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -62.12 -41.27 98.07 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.604 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.2 mm? -62.1 -53.77 50.73 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.712 174.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -54.25 -43.47 70.95 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.139 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -68.87 -36.37 78.02 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.55 0.69 . . . . 0.0 110.194 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -62.08 -34.62 76.64 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.937 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.687 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 36.2 m-85 -85.76 -2.74 58.52 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.63 -0.828 . . . . 0.0 111.141 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -66.31 -18.22 65.22 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.731 177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.9 m -64.62 105.58 1.0 Allowed 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -62.16 -30.08 70.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.144 -0.935 . . . . 0.0 113.235 -176.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.545 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 21.9 t70 -71.36 -30.81 66.6 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-O 121.359 0.6 . . . . 0.0 109.739 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.743 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 8.9 t60 -66.3 -56.2 12.35 Favored 'General case' 0 CA--C 1.469 -2.145 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.647 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 47.4 mtmt -68.46 -29.47 68.12 Favored 'General case' 0 N--CA 1.422 -1.852 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.017 -176.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 37.5 ttmt -60.64 -47.0 88.2 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.849 170.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 9.5 tpp180 -57.69 -41.47 81.72 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 60.7 mt -68.29 -42.57 79.28 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.206 -175.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 18.2 ptmt -72.8 -28.12 62.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 73.5 mm-40 -74.35 -32.93 62.97 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.079 0.466 . . . . 0.0 110.052 174.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 63.3 mt -73.46 -18.38 61.13 Favored 'General case' 0 N--CA 1.432 -1.336 0 C-N-CA 123.916 0.886 . . . . 0.0 111.885 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.5 m -64.18 143.97 57.48 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.3 -37.35 77.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.758 0.789 . . . . 0.0 109.183 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.68 112.85 54.29 Favored Pre-proline 0 N--CA 1.426 -1.654 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.399 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -84.45 29.61 0.54 Allowed 'Trans proline' 0 C--O 1.243 0.745 0 C-N-CA 122.833 2.355 . . . . 0.0 111.78 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -145.27 88.64 1.88 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.404 -1.271 . . . . 0.0 108.381 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 t -116.7 83.33 1.95 Allowed 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.884 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 64.92 3.41 2.07 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 125.278 1.431 . . . . 0.0 112.356 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -102.81 -2.52 27.84 Favored 'General case' 0 C--N 1.281 -2.398 0 CA-C-O 122.049 0.928 . . . . 0.0 108.591 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -95.23 -49.07 5.64 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -143.42 92.87 2.41 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.998 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -83.55 -34.27 25.26 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.225 -0.59 . . . . 0.0 109.973 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -92.26 85.29 5.38 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.339 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.22 86.97 0.54 Allowed 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.39 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.24 77.31 0.17 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.757 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -145.92 -131.69 2.31 Favored Glycine 0 N--CA 1.433 -1.536 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.758 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 67.92 12.54 8.86 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.781 0.832 . . . . 0.0 111.448 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.85 75.01 0.7 Allowed Glycine 0 N--CA 1.424 -2.108 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 p -77.22 151.08 35.33 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 115.407 -0.396 . . . . 0.0 110.868 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -120.04 135.04 55.08 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.288 -2.1 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.797 -179.35 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--O 1.239 0.507 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -64.71 129.81 24.55 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.586 2.19 . . . . 0.0 112.257 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 t30 49.68 69.35 0.61 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.076 0.95 . . . . 0.0 111.261 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.86 83.6 1.09 Allowed 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.577 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -148.67 -56.63 0.21 Allowed 'General case' 0 N--CA 1.413 -2.3 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 57.82 -159.28 0.27 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.253 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -116.99 129.58 25.22 Favored Pre-proline 0 C--N 1.299 -1.618 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.77 -2.34 11.79 Favored 'Trans proline' 0 C--O 1.247 0.936 0 C-N-CA 122.382 2.055 . . . . 0.0 114.533 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -99.06 -31.81 11.59 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -110.85 113.84 54.83 Favored Pre-proline 0 N--CA 1.433 -1.278 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.08 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.79 125.85 19.36 Favored 'Trans proline' 0 C--O 1.247 0.943 0 C-N-CA 123.468 2.779 . . . . 0.0 112.032 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.35 23.45 77.93 Favored Glycine 0 CA--C 1.503 -0.691 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.549 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.31 6.95 76.91 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.6 3.51 86.84 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.729 -0.549 . . . . 0.0 111.729 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -87.91 -2.06 58.37 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.298 0.639 . . . . 0.0 112.037 -175.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 79.3 m-70 -134.26 103.8 5.9 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -147.12 148.37 31.52 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.94 0.876 . . . . 0.0 112.908 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.647 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 22.0 t -95.91 116.14 28.48 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 172.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.8 -34.75 78.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 123.386 0.429 . . . . 0.0 110.989 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.34 -17.79 64.97 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.137 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 75.6 m -115.87 -10.6 11.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 58.58 24.82 12.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.607 0.763 . . . . 0.0 111.525 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 37.6 mmt180 -118.49 151.32 38.05 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.815 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -105.43 154.02 20.9 Favored 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 123.676 0.79 . . . . 0.0 109.247 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.464 ' CD1' HD23 ' A' ' 58' ' ' LEU . 71.4 m-85 -129.23 146.96 51.03 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.86 -22.57 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -174.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HB3' HD22 ' A' ' 57' ' ' ASN . 21.9 t70 -146.56 151.51 37.44 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.486 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 45.5 t -59.9 -34.75 73.61 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 123.211 0.604 . . . . 0.0 110.776 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.6 m -63.66 -37.61 88.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.738 0.304 . . . . 0.0 110.194 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 54' ' ' ASP . 21.0 m-80 -65.55 -42.09 92.29 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 121.323 0.582 . . . . 0.0 110.494 177.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -64.96 -50.7 65.36 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.746 178.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 55' ' ' SER . 75.2 mmtt -59.37 -43.61 92.83 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.446 177.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.0 m -61.83 -32.77 73.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.496 0.665 . . . . 0.0 110.38 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 49.8 t60 -59.82 -28.8 67.78 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.991 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.696 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 18.9 m-85 -91.81 -25.98 18.75 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 119.409 -0.916 . . . . 0.0 110.131 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -65.58 -12.51 53.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.088 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.9 m -73.34 99.69 2.99 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 167.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -54.32 -27.12 33.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -170.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.66 -38.12 69.18 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.733 0.646 . . . . 0.0 110.979 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 2.3 t60 -67.24 -56.74 8.57 Favored 'General case' 0 CA--C 1.446 -3.048 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.716 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.696 ' HD3' ' HB3' ' A' ' 62' ' ' PHE 0.269 53.9 mtmt -67.94 -27.92 67.03 Favored 'General case' 0 N--CA 1.4 -2.953 0 O-C-N 124.038 0.836 . . . . 0.0 111.464 -174.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.78 -45.09 79.57 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.026 170.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -64.5 -31.37 72.56 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.797 0.808 . . . . 0.0 109.043 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 20.1 tp -69.88 -37.6 76.09 Favored 'General case' 0 N--CA 1.399 -2.993 0 C-N-CA 125.818 1.647 . . . . 0.0 109.424 -175.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 3.5 mmmp? -71.35 -40.79 70.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.665 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -73.91 -31.06 62.91 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.786 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 74' ' ' LEU . 6.1 tt -75.99 -30.42 58.54 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.8 t 73.21 179.03 0.23 Allowed 'General case' 0 C--O 1.241 0.645 0 C-N-CA 124.743 1.217 . . . . 0.0 110.993 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.95 -62.3 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.74 -176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 33.7 tt0 66.88 105.19 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.493 0 O-C-N 124.397 1.06 . . . . 0.0 108.938 -172.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.586 ' O ' ' HA ' ' A' ' 83' ' ' GLU . 6.8 Cg_exo -71.8 30.55 0.25 Allowed 'Trans proline' 0 N--CA 1.483 0.907 0 C-N-CA 123.365 2.71 . . . . 0.0 116.089 -172.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -88.39 87.8 7.41 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-O 122.056 0.932 . . . . 0.0 113.126 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.2 t -132.7 112.6 12.14 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.489 ' HG3' ' HB3' ' A' ' 84' ' ' ALA 0.352 27.5 pt20 46.35 69.76 0.45 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.282 1.033 . . . . 0.0 113.768 -173.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 57.38 63.03 1.97 Allowed 'General case' 0 C--O 1.248 0.976 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.984 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 78' ' ' PRO . 12.1 pt-20 47.26 30.11 1.39 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 125.484 1.514 . . . . 0.0 114.212 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.489 ' HB3' ' HG3' ' A' ' 81' ' ' GLN . . . -77.64 16.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.552 0.691 . . . . 0.0 112.381 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -85.03 -51.5 6.63 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.592 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.611 ' HE ' ' HA ' ' A' ' 86' ' ' ARG . 2.5 mmp_? -98.77 5.81 47.3 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.354 0.597 . . . . 0.0 110.124 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . . . -107.02 23.67 14.04 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.059 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.04 -4.2 40.03 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.555 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.96 16.82 78.29 Favored Glycine 0 C--O 1.236 0.268 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.693 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.0 ptp -173.21 165.37 4.86 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 106.557 -1.645 . . . . 0.0 106.557 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.14 -112.78 0.27 Allowed Glycine 0 N--CA 1.429 -1.815 0 C-N-CA 119.5 -1.333 . . . . 0.0 112.695 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.1 m 62.56 88.86 0.09 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.054 0.942 . . . . 0.0 110.092 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -131.65 124.81 30.66 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 121.47 0.652 . . . . 0.0 111.664 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.417 -2.123 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.11 177.802 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -49.19 118.91 3.93 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 123.186 2.591 . . . . 0.0 113.208 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 47.9 81.41 0.05 OUTLIER 'General case' 0 C--O 1.248 0.991 0 CA-C-N 114.418 -1.265 . . . . 0.0 112.662 -174.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.56 92.62 0.89 Allowed 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.444 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.77 -21.6 57.26 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.497 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 50.6 p90 -88.0 141.3 28.68 Favored 'General case' 0 N--CA 1.42 -1.952 0 CA-C-N 113.639 -1.619 . . . . 0.0 108.833 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' A' ' 36' ' ' ASP . 15.9 t70 -61.64 123.69 78.01 Favored Pre-proline 0 C--N 1.315 -0.892 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.59 -12.91 29.7 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.603 2.202 . . . . 0.0 113.806 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.459 ' HB3' ' OD1' ' A' ' 34' ' ' ASP . 23.5 t70 -89.75 -25.14 21.3 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.52 0.676 . . . . 0.0 109.976 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -96.98 145.95 30.47 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.465 174.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.85 111.27 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.118 1.879 . . . . 0.0 110.32 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.58 29.08 73.58 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.497 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 66.91 8.26 47.63 Favored Glycine 0 CA--C 1.5 -0.88 0 CA-C-N 115.332 -0.434 . . . . 0.0 112.462 -178.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.72 16.48 65.85 Favored Glycine 0 N--CA 1.429 -1.773 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.61 -28.33 21.97 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 121.571 0.701 . . . . 0.0 109.665 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 86.4 m-70 -98.38 92.8 5.85 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -142.9 144.79 32.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-O 122.325 1.06 . . . . 0.0 113.858 -174.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.674 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 17.5 t -96.98 117.82 32.01 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 113.601 -1.636 . . . . 0.0 107.222 172.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.97 -35.34 80.86 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.389 0.614 . . . . 0.0 110.376 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.77 64.96 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.194 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 73.1 m -116.29 -14.78 11.05 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.29 17.17 8.01 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.987 0.915 . . . . 0.0 111.903 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 48' ' ' CYS . 59.2 mtt180 -105.72 152.36 23.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.152 -0.477 . . . . 0.0 109.743 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.91 137.5 42.58 Favored 'General case' 0 N--CA 1.409 -2.519 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CD1' HD23 ' A' ' 58' ' ' LEU . 64.1 m-85 -112.65 146.65 38.27 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.731 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.3 pt -69.9 -33.14 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.881 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.556 ' HB3' HD22 ' A' ' 57' ' ' ASN . 17.0 t70 -139.07 147.93 42.66 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.262 -178.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t -59.33 -33.98 71.8 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 124.089 0.956 . . . . 0.0 111.316 -178.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 m -65.1 -37.41 87.39 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.556 HD22 ' HB3' ' A' ' 54' ' ' ASP . 30.6 m-80 -65.82 -43.74 87.67 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.599 177.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -63.98 -48.25 77.16 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.847 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HE3' ' OG ' ' A' ' 55' ' ' SER . 98.9 mttt -60.52 -42.23 96.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.695 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 99.1 m -60.13 -32.25 70.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 122.011 0.91 . . . . 0.0 109.746 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.587 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 73.8 t60 -62.47 -27.91 69.45 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.635 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.674 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -103.47 -7.78 20.65 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 118.536 -1.266 . . . . 0.0 111.347 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 60' ' ' THR . 39.5 ptt180 -67.85 -16.35 64.05 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.422 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 m -78.02 106.59 9.99 Favored 'General case' 0 N--CA 1.418 -2.069 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -58.64 -28.74 65.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.354 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.65 -36.2 64.32 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.998 0.919 . . . . 0.0 111.541 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.55 ' O ' HD13 ' A' ' 71' ' ' LEU . 3.0 t60 -66.45 -56.57 10.31 Favored 'General case' 0 CA--C 1.476 -1.887 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.474 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 49.5 mtmt -70.15 -28.19 65.14 Favored 'General case' 0 C--N 1.274 -2.711 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -174.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.43 -41.77 98.69 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.055 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.61 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 23.8 tpt180 -58.31 -35.63 72.14 Favored 'General case' 0 C--O 1.205 -1.242 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 67' ' ' HIS . 9.2 mp -65.79 -39.39 90.93 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 123.683 0.793 . . . . 0.0 111.267 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.11 -38.59 82.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -63.34 -42.01 98.92 Favored 'General case' 0 N--CA 1.426 -1.672 0 C-N-CA 123.86 0.864 . . . . 0.0 109.366 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 72.0 mt -62.56 -33.85 75.77 Favored 'General case' 0 N--CA 1.425 -1.697 0 C-N-CA 123.451 0.701 . . . . 0.0 111.18 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.5 m -91.57 85.51 5.73 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-O 121.261 0.553 . . . . 0.0 110.566 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.3 m -87.17 -34.84 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.739 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.078 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.525 ' HB2' ' HD3' ' A' ' 78' ' ' PRO . 16.4 mp0 -51.53 -53.9 45.04 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 123.832 0.707 . . . . 0.0 112.329 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 77' ' ' GLU . 7.6 Cg_endo -90.74 106.85 0.31 Allowed 'Trans proline' 0 N--CA 1.438 -1.769 0 C-N-CA 121.557 1.505 . . . . 0.0 110.385 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -86.06 155.44 20.82 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.747 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -103.49 156.56 17.67 Favored 'General case' 0 N--CA 1.396 -3.15 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.71 73.29 6.43 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-O 122.353 1.073 . . . . 0.0 113.288 -175.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.66 -24.49 0.93 Allowed 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.405 171.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -93.89 -24.52 17.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 170.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.81 158.22 16.45 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.49 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 71.32 98.34 0.07 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 124.873 1.269 . . . . 0.0 111.327 -176.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -131.09 147.18 52.59 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.249 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.67 -23.08 20.86 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.956 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 70.67 101.42 0.06 Allowed 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.345 1.058 . . . . 0.0 110.015 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -45.16 111.65 0.6 Allowed Glycine 0 C--O 1.238 0.38 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.057 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.25 163.21 8.62 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.4 35.52 2.4 Favored Glycine 0 N--CA 1.432 -1.589 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.5 p -88.71 141.32 28.61 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-O 121.034 0.445 . . . . 0.0 110.615 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -157.3 145.57 19.33 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.28 14.8 p . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 125.044 1.337 . . . . 0.0 113.736 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 CA--C 1.495 -1.14 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.38 161.28 20.7 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.453 2.102 . . . . 0.0 110.116 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -54.82 -20.65 9.09 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.052 0.941 . . . . 0.0 112.712 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 64.88 76.44 0.34 Allowed 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.042 0.937 . . . . 0.0 112.785 171.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -76.99 -25.45 52.75 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.819 0.819 . . . . 0.0 110.259 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -81.52 151.71 27.64 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.901 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.481 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 15.4 t70 -112.93 114.91 48.79 Favored Pre-proline 0 C--N 1.303 -1.427 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 175.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.77 -10.44 27.76 Favored 'Trans proline' 0 N--CA 1.475 0.434 0 C-N-CA 122.65 2.233 . . . . 0.0 113.562 -174.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -90.74 -29.73 17.48 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 121.299 0.571 . . . . 0.0 109.885 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.6 mt -79.4 144.58 62.07 Favored Pre-proline 0 C--N 1.304 -1.404 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.865 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.22 121.54 10.23 Favored 'Trans proline' 0 C--O 1.246 0.882 0 C-N-CA 122.715 2.277 . . . . 0.0 112.06 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.39 27.29 73.73 Favored Glycine 0 C--O 1.245 0.836 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 34' ' ' ASP . . . 72.94 6.82 68.79 Favored Glycine 0 C--O 1.244 0.719 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.38 6.01 79.13 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.33 -35.45 15.23 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 120.828 0.347 . . . . 0.0 111.848 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 81.3 m-70 -94.36 94.32 8.21 Favored 'General case' 0 CA--C 1.478 -1.811 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -140.7 156.37 46.23 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.968 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.504 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 32.7 t -95.34 117.36 30.17 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.37 -44.39 97.25 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 123.822 0.701 . . . . 0.0 111.181 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -24.96 67.3 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.276 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.5 m -99.69 -16.72 18.07 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 120.488 -0.485 . . . . 0.0 112.176 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.46 21.87 10.34 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.098 0.959 . . . . 0.0 111.341 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -105.02 146.31 29.24 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -104.7 141.1 37.06 Favored 'General case' 0 N--CA 1.417 -2.106 0 O-C-N 123.894 0.746 . . . . 0.0 109.727 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' HD23 ' A' ' 58' ' ' LEU . 72.4 m-85 -121.23 146.77 46.46 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.2 pt -65.58 -23.19 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 O-C-N 123.754 0.659 . . . . 0.0 112.578 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -152.51 166.31 32.38 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 120.718 0.294 . . . . 0.0 110.671 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.53 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 36.4 t -72.76 -25.54 61.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.807 -177.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 m -70.61 -43.88 68.39 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.17 -45.8 86.84 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 121.231 0.539 . . . . 0.0 110.442 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.557 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.978 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.058 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.2 m -66.44 -31.23 71.86 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.706 0.765 . . . . 0.0 109.781 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.557 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 40.1 t60 -60.18 -28.43 67.94 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.951 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.663 ' O ' ' HD2' ' A' ' 68' ' ' LYS . 19.9 m-85 -91.92 12.98 19.86 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.563 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.85 -18.49 64.16 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.947 174.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.7 m -79.02 99.54 6.93 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -65.07 -25.31 67.75 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.274 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 11.6 t70 -56.96 -39.63 74.93 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.968 0.889 . . . . 0.0 109.444 176.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.538 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 10.2 t60 -66.59 -45.36 79.47 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.041 -178.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HD2' ' O ' ' A' ' 62' ' ' PHE . 27.9 mtpp -68.29 -28.71 67.42 Favored 'General case' 0 C--N 1.27 -2.882 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.619 -175.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 59.0 tttp -60.26 -45.11 94.42 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.248 170.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -62.51 -36.14 81.61 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 80.1 mt -70.89 -35.77 72.46 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.132 -177.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -66.14 -49.54 67.09 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.043 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -72.51 -19.51 61.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.832 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 74' ' ' LEU . 6.4 tt -57.74 -22.89 49.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.932 1.293 . . . . 0.0 111.356 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.2 m -60.16 -30.9 69.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.125 0.488 . . . . 0.0 110.527 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.1 t -108.47 -44.38 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.124 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.584 ' OE1' ' HD2' ' A' ' 78' ' ' PRO . 9.2 tp10 -78.98 111.61 21.23 Favored Pre-proline 0 C--N 1.315 -0.916 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.584 ' HD2' ' OE1' ' A' ' 77' ' ' GLU . 12.8 Cg_exo -32.66 144.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.511 1 C-N-CA 126.06 4.507 . . . . 0.0 117.854 -176.05 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 83' ' ' GLU . 17.2 t80 -92.5 166.11 12.69 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 p -78.55 76.76 5.05 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 53.0 tp60 60.48 40.68 16.8 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.724 0.774 . . . . 0.0 110.607 176.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 60.98 23.65 13.78 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.577 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 32.8 tt0 70.63 79.96 0.17 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 125.667 1.587 . . . . 0.0 107.266 -175.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 81' ' ' GLN . . . -54.94 127.23 27.85 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.846 -175.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 56.34 81.75 0.12 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -173.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.411 ' C ' ' H ' ' A' ' 88' ' ' ALA . 30.6 ttt180 -90.06 128.43 36.29 Favored 'General case' 0 N--CA 1.408 -2.569 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.207 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.29 17.26 0.5 Allowed 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 124.648 1.179 . . . . 0.0 111.275 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 86' ' ' ARG . . . -133.92 80.97 1.89 Allowed 'General case' 0 N--CA 1.41 -2.425 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -115.2 109.26 2.06 Favored Glycine 0 N--CA 1.425 -2.041 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.504 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.8 ttm -122.53 123.87 42.24 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.5 -37.53 0.09 OUTLIER Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.82 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.5 p -63.86 136.32 57.29 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.266 0.555 . . . . 0.0 111.176 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -83.06 143.84 30.31 Favored 'General case' 0 N--CA 1.407 -2.588 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.344 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.295 -1.795 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 177.838 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.36 140.05 81.94 Favored 'Trans proline' 0 C--N 1.361 1.208 0 C-N-CA 122.715 2.277 . . . . 0.0 111.261 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 t30 70.55 -22.45 0.18 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.688 1.195 . . . . 0.0 113.467 -177.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.99 78.13 1.16 Allowed 'General case' 0 N--CA 1.422 -1.872 0 CA-C-O 121.845 0.831 . . . . 0.0 111.874 -176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -118.98 -64.62 1.26 Allowed 'General case' 0 N--CA 1.41 -2.43 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 172.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 58.3 -162.35 0.22 Allowed 'General case' 0 C--O 1.242 0.678 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.034 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -79.9 132.55 60.32 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.63 -15.35 24.45 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.219 1.946 . . . . 0.0 114.061 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -87.68 -30.85 20.08 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.371 0.605 . . . . 0.0 109.445 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 3.0 mm? -98.68 116.41 65.39 Favored Pre-proline 0 C--N 1.307 -1.258 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.618 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 17.3 Cg_exo -65.52 127.02 17.21 Favored 'Trans proline' 0 C--O 1.246 0.894 0 C-N-CA 123.059 2.506 . . . . 0.0 110.635 177.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 22.36 78.45 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 7.6 60.91 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.377 -0.411 . . . . 0.0 112.158 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 73.53 7.35 73.42 Favored Glycine 0 N--CA 1.439 -1.162 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.36 -24.66 29.62 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.197 0.523 . . . . 0.0 111.166 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 66.8 m-70 -108.32 93.06 4.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -174.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -128.9 145.71 51.14 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.588 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.659 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 5.4 t -97.2 118.05 32.77 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 167.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.46 -36.82 81.49 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.1 -18.12 63.94 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.197 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.5 m -109.88 -23.72 11.22 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.26 20.97 12.16 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.247 1.019 . . . . 0.0 110.987 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -115.13 168.73 9.68 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.503 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.409 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 98.4 m-85 -105.56 156.74 17.95 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.424 -172.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE1' HD23 ' A' ' 58' ' ' LEU . 85.2 m-85 -136.52 146.93 46.78 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 pt -79.18 -15.89 13.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.43 ' HB2' HD22 ' A' ' 57' ' ' ASN . 23.8 m-20 -136.3 152.3 50.54 Favored 'General case' 0 CA--C 1.484 -1.591 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -73.87 -30.37 62.6 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 173.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 m -62.47 -37.61 86.6 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.99 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.43 HD22 ' HB2' ' A' ' 54' ' ' ASP . 11.2 m-80 -68.26 -44.19 76.14 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.114 0.483 . . . . 0.0 110.637 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.632 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.2 tm? -62.21 -49.63 74.98 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.976 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -62.13 -39.43 92.52 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.2 m -66.97 -29.8 69.75 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.803 0.811 . . . . 0.0 109.29 176.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 61.7 t60 -56.27 -28.13 57.58 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.606 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.659 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 10.7 m-85 -100.77 11.79 38.84 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 119.054 -1.059 . . . . 0.0 109.787 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.33 -31.17 69.43 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.1 m -71.78 117.11 12.95 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.556 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.71 -34.43 77.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.527 0.731 . . . . 0.0 112.663 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.78 -42.61 71.95 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.032 0.533 . . . . 0.0 112.217 -175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' O ' HD13 ' A' ' 71' ' ' LEU . 6.3 t60 -63.09 -55.84 21.95 Favored 'General case' 0 CA--C 1.47 -2.116 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.039 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 49.5 mtpt -64.92 -29.34 70.27 Favored 'General case' 0 C--N 1.277 -2.556 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.154 -175.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -60.01 -41.3 91.82 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.459 172.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -60.69 -34.12 73.88 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -179.323 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 67' ' ' HIS . 10.3 mp -74.95 -41.68 59.16 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 68' ' ' LYS . 55.8 mtpt -62.13 -39.54 92.91 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.415 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -78.17 -22.12 49.16 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.8 tt -73.62 -42.33 61.61 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.681 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.2 m -174.28 105.91 0.11 Allowed 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -175.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.436 HG12 ' HG3' ' A' ' 77' ' ' GLU . 62.0 t -141.3 -60.74 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 169.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HG3' HG12 ' A' ' 76' ' ' VAL . 41.9 mt-10 -134.8 144.38 50.34 Favored Pre-proline 0 C--N 1.304 -1.41 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -48.03 112.03 0.52 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.663 2.242 . . . . 0.0 111.602 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -129.15 156.73 43.44 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -173.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -147.98 179.96 7.35 Favored 'General case' 0 N--CA 1.416 -2.144 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.779 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 56.5 mt-30 -79.91 87.98 5.32 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.067 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -153.07 -63.38 0.15 Allowed 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.76 -46.31 31.56 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.64 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -97.53 105.45 17.6 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 175.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 64.67 86.66 0.12 Allowed 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 124.032 0.933 . . . . 0.0 111.863 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -65.03 -38.64 91.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.98 -62.55 0.32 Allowed 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 171.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 168.05 -52.88 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 127.124 2.17 . . . . 0.0 105.359 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.91 157.21 28.95 Favored Glycine 0 N--CA 1.419 -2.438 0 N-CA-C 107.049 -2.42 . . . . 0.0 107.049 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.96 110.76 11.92 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 118.447 1.123 . . . . 0.0 108.884 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.36 116.02 0.69 Allowed Glycine 0 N--CA 1.417 -2.609 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.2 p -80.46 91.4 5.73 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.573 0.702 . . . . 0.0 111.442 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -102.88 133.63 47.66 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.825 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.289 -2.022 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.533 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 CA--C 1.512 -0.482 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.91 -173.77 1.9 Allowed 'Trans proline' 0 CA--C 1.511 -0.661 0 C-N-CA 122.583 2.188 . . . . 0.0 111.562 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -61.18 -29.1 69.6 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-O 121.375 0.607 . . . . 0.0 109.844 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 57.47 26.96 13.29 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 125.075 1.35 . . . . 0.0 112.043 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -77.43 -40.47 43.25 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.668 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.408 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 49.8 p90 -67.71 155.13 39.95 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.078 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 12.4 t70 -77.62 132.52 68.54 Favored Pre-proline 0 C--N 1.309 -1.16 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -87.13 -11.49 5.28 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.076 1.851 . . . . 0.0 114.26 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -86.07 -34.08 20.79 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' HB3' ' CA ' ' A' ' 41' ' ' GLY . 3.7 mm? -88.51 145.68 35.94 Favored Pre-proline 0 C--N 1.299 -1.63 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.679 176.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -51.54 -79.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 123.133 2.555 . . . . 0.0 115.809 -174.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.75 56.29 2.62 Favored Glycine 0 CA--C 1.478 -2.238 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 34' ' ' ASP . . . 65.6 11.39 53.29 Favored Glycine 0 N--CA 1.435 -1.414 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -175.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' CA ' ' HB3' ' A' ' 37' ' ' LEU . . . 70.6 -7.77 4.81 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 115.491 -0.354 . . . . 0.0 113.194 -173.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.99 -30.65 24.04 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.841 0.321 . . . . 0.0 111.861 -175.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 94.3 m-70 -84.16 85.07 7.4 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -140.74 148.55 40.89 Favored 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.376 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.655 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.8 t -96.09 116.98 29.8 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 173.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.76 -34.59 78.69 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.15 -23.3 67.08 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.649 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -107.78 -19.24 13.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.06 22.57 12.83 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.228 0.611 . . . . 0.0 110.212 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HA ' ' HE ' ' A' ' 50' ' ' ARG . 5.0 mmp_? -104.51 148.83 26.03 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -105.54 134.83 48.01 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.831 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.493 ' CD1' HD23 ' A' ' 58' ' ' LEU . 55.4 m-85 -114.57 151.12 33.93 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.42 -31.67 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -148.2 174.84 11.57 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.299 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.59 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 32.6 t -78.06 -26.42 48.23 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.3 m -67.89 -44.88 75.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -62.67 -46.46 88.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.252 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -63.82 -47.5 80.56 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.683 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.31 -39.04 85.54 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.4 m -62.1 -33.4 74.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.132 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 68.5 t60 -62.14 -30.34 70.97 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.511 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.655 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 20.9 m-85 -95.25 -2.6 49.16 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 118.462 -1.295 . . . . 0.0 109.739 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -71.04 -17.88 62.59 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.4 m -71.24 97.5 1.56 Allowed 'General case' 0 N--CA 1.422 -1.859 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 170.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.598 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -59.48 -26.37 65.2 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -175.124 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.476 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 22.8 t70 -66.6 -32.04 73.11 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-O 121.177 0.513 . . . . 0.0 110.05 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.505 ' O ' HD13 ' A' ' 71' ' ' LEU . 6.7 t60 -62.44 -56.17 20.77 Favored 'General case' 0 C--O 1.197 -1.689 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.407 -177.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.588 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 50.3 mtpt -66.76 -29.39 69.33 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-O 121.269 0.557 . . . . 0.0 110.382 -175.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HE2' ' HA ' ' A' ' 66' ' ' ASP . 34.2 ttpt -69.83 -35.68 74.98 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.623 171.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 70' ' ' ARG . 2.4 tpt180 -65.63 -27.7 68.58 Favored 'General case' 0 C--O 1.195 -1.77 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 67' ' ' HIS . 9.4 mp -66.48 -31.73 72.66 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 124.185 0.994 . . . . 0.0 112.236 177.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 76' ' ' VAL . 58.1 tptt -65.62 -48.99 70.38 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 173.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -65.69 -29.68 70.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.87 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 67.5 tp -63.78 -26.5 68.66 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.65 1.18 . . . . 0.0 110.451 176.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.2 m -90.19 0.73 57.05 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.92 0.867 . . . . 0.0 110.11 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 72' ' ' LYS . 22.1 t -118.75 9.36 6.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 73.3 106.56 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.361 0 CA-C-N 114.032 -1.44 . . . . 0.0 108.927 -176.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 54.9 Cg_endo -70.63 115.03 4.04 Favored 'Trans proline' 0 C--O 1.249 1.07 0 C-N-CA 122.185 1.923 . . . . 0.0 111.798 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -79.86 97.95 6.89 Favored 'General case' 0 N--CA 1.426 -1.674 0 CA-C-O 121.945 0.878 . . . . 0.0 112.617 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.4 t -123.79 126.02 45.73 Favored 'General case' 0 N--CA 1.406 -2.661 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . 0.34 0.5 OUTLIER 49.98 23.52 1.11 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.72 1.208 . . . . 0.0 113.31 -172.357 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 64.09 20.8 12.35 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 123.973 0.909 . . . . 0.0 111.326 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 62.11 82.49 0.17 Allowed 'General case' 0 C--O 1.252 1.214 0 CA-C-O 122.38 1.086 . . . . 0.0 109.469 -173.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -133.44 108.21 8.52 Favored 'General case' 0 N--CA 1.413 -2.294 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.686 -175.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.47 -39.85 2.97 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.718 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -104.92 98.92 8.57 Favored 'General case' 0 N--CA 1.417 -2.112 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.046 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.07 -26.31 20.33 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 60.78 21.76 11.81 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.444 -1.253 . . . . 0.0 111.491 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -83.75 78.88 1.96 Allowed Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.88 -35.29 51.02 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.64 -69.65 3.16 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.896 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -147.81 134.56 20.01 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 122.822 0.449 . . . . 0.0 110.03 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -139.01 111.16 7.36 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.552 0.691 . . . . 0.0 109.85 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 81.3 t . . . . . 0 C--N 1.266 -3.063 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.546 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.464 0.275 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -56.28 -172.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.981 2.454 . . . . 0.0 114.291 177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' OD1' ' HB2' ' A' ' 32' ' ' GLU . 27.1 t-20 -51.07 -42.09 60.35 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.647 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 64.81 36.87 7.64 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HB2' ' OD1' ' A' ' 30' ' ' ASN . 12.0 tp10 -66.42 -27.03 67.52 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 174.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.625 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 40.8 p90 -100.06 147.68 25.38 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-N 113.401 -1.727 . . . . 0.0 109.176 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -90.06 128.29 50.31 Favored Pre-proline 0 C--N 1.308 -1.232 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -65.11 -23.82 60.09 Favored 'Trans proline' 0 C--O 1.241 0.669 0 C-N-CA 122.52 2.146 . . . . 0.0 115.319 -174.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.7 -26.72 21.67 Favored 'General case' 0 CA--C 1.502 -0.901 0 C-N-CA 119.499 -0.88 . . . . 0.0 110.137 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 8.7 mp -80.46 129.43 69.0 Favored Pre-proline 0 C--N 1.295 -1.773 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.494 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 37.0 Cg_exo -59.13 124.63 16.05 Favored 'Trans proline' 0 C--O 1.244 0.782 0 C-N-CA 122.752 2.302 . . . . 0.0 111.089 177.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.56 18.15 79.33 Favored Glycine 0 CA--C 1.49 -1.477 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.625 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 74.2 3.43 65.27 Favored Glycine 0 N--CA 1.422 -2.286 0 CA-C-N 114.763 -0.719 . . . . 0.0 111.73 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.57 7.41 79.26 Favored Glycine 0 N--CA 1.432 -1.577 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -173.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -90.09 -18.91 25.01 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.438 0.637 . . . . 0.0 110.113 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.538 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 74.6 m-70 -120.96 96.22 5.02 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -138.33 150.05 46.22 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.562 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 35.1 t -96.53 116.06 28.46 Favored 'General case' 0 C--N 1.274 -2.702 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 169.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.5 -34.11 76.45 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.066 0.46 . . . . 0.0 111.141 -174.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -22.89 65.1 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.557 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -109.43 -18.86 13.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 65.89 25.8 11.13 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.687 0.795 . . . . 0.0 112.104 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -104.21 149.93 24.84 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.258 0.552 . . . . 0.0 110.192 176.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -105.76 123.56 48.14 Favored 'General case' 0 N--CA 1.407 -2.58 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.492 ' HB2' HD22 ' A' ' 58' ' ' LEU . 29.8 m-85 -115.63 151.04 35.73 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.7 mm -60.74 -33.86 56.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -152.43 162.89 40.56 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.947 -176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.538 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 33.5 t -66.97 -23.76 65.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.749 0.42 . . . . 0.0 110.07 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.4 m -64.65 -32.99 74.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -70.74 -40.7 72.57 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 43' ' ' HIS . 4.0 mm? -60.21 -53.24 60.06 Favored 'General case' 0 CA--C 1.468 -2.196 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.331 174.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -54.74 -41.27 70.18 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 124.214 0.946 . . . . 0.0 110.614 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.431 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 86.0 m -63.3 -40.51 97.56 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 121.433 0.635 . . . . 0.0 110.046 174.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.83 -38.46 91.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.791 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.645 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 33.3 m-85 -86.53 14.38 6.92 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 120.035 -0.666 . . . . 0.0 111.058 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 14.6 mmm180 -70.53 -16.49 62.89 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.098 173.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.1 m -71.49 98.02 1.76 Allowed 'General case' 0 N--CA 1.411 -2.393 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.53 -34.3 75.63 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.915 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.45 -31.93 69.76 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.846 0.831 . . . . 0.0 109.756 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.451 ' O ' HD13 ' A' ' 71' ' ' LEU . 52.4 t60 -69.06 -54.96 12.32 Favored 'General case' 0 CA--C 1.488 -1.421 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.612 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.645 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 27.4 mtpp -62.78 -32.74 73.96 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.75 -179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.512 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 81.2 tttt -59.47 -49.29 78.36 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.775 173.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 27.0 tpt180 -60.32 -38.41 83.61 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 121.415 0.626 . . . . 0.0 109.809 -177.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 67' ' ' HIS . 11.2 mp -72.26 -34.03 67.93 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.299 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -74.01 -26.99 60.74 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.474 0.654 . . . . 0.0 109.989 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 28.0 mm-40 -70.85 -30.83 67.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.619 0.723 . . . . 0.0 109.271 174.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 86.9 mt -77.13 -32.43 56.43 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.785 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.8 p -140.87 102.6 4.31 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.486 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.71 -73.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 123.597 0.561 . . . . 0.0 111.185 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -120.58 113.51 33.4 Favored Pre-proline 0 N--CA 1.434 -1.235 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 173.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -95.1 40.92 0.15 Allowed 'Trans proline' 0 C--O 1.239 0.557 0 C-N-CA 123.283 2.655 . . . . 0.0 111.638 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 72.41 100.49 0.07 Allowed 'General case' 0 CA--C 1.487 -1.476 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.186 -171.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.1 t -99.26 162.08 13.25 Favored 'General case' 0 N--CA 1.383 -3.782 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -81.77 72.49 8.82 Favored 'General case' 0 C--N 1.276 -2.587 0 CA-C-O 122.418 1.104 . . . . 0.0 110.485 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -148.86 -45.57 0.15 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.56 -72.42 0.14 Allowed 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 168.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 46.32 -165.0 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.117 1.367 . . . . 0.0 114.008 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -98.67 -21.9 16.19 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 67.66 20.46 9.57 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.842 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.96 84.5 1.22 Allowed 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.02 -6.6 2.36 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.508 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.31 39.85 0.66 Allowed Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.648 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -112.08 124.75 53.08 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -153.71 49.26 0.51 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.727 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.9 m -93.98 127.09 39.57 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 122.824 -0.221 . . . . 0.0 110.411 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 t80 65.64 137.74 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.86 1.264 . . . . 0.0 113.576 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.307 -1.269 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.267 178.024 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.593 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 5.1 m-20 . . . . . 0 CA--C 1.551 1.015 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 28' ' ' ASP . 7.6 Cg_endo -54.1 132.61 51.1 Favored 'Trans proline' 0 C--N 1.393 2.908 0 CA-C-N 122.881 2.065 . . . . 0.0 111.155 175.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 71.03 -31.89 0.23 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 125.483 1.513 . . . . 0.0 112.539 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.87 78.42 1.19 Allowed 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -72.98 -76.95 0.11 Allowed 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.032 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 54.67 -160.25 0.16 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.922 0.889 . . . . 0.0 109.629 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -111.09 130.94 22.46 Favored Pre-proline 0 C--N 1.306 -1.3 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.74 2.26 7.69 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 121.655 1.57 . . . . 0.0 115.236 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -106.65 -32.43 8.02 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -106.89 134.2 19.95 Favored Pre-proline 0 CA--C 1.498 -1.036 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -58.0 103.32 0.14 Allowed 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.247 1.965 . . . . 0.0 112.337 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.578 ' N ' ' HA ' ' A' ' 53' ' ' ILE . . . 68.41 20.33 73.44 Favored Glycine 0 CA--C 1.494 -1.267 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.752 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.82 11.8 63.61 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.509 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 72.61 8.89 73.11 Favored Glycine 0 N--CA 1.433 -1.549 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.99 -15.76 43.16 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.088 0.555 . . . . 0.0 111.707 -175.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 84.9 m-70 -122.43 101.02 7.25 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -144.05 156.26 44.31 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 121.64 0.733 . . . . 0.0 112.084 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.558 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 15.4 t -95.57 119.13 33.53 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.56 -37.52 86.49 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.226 0.536 . . . . 0.0 110.581 -177.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.38 -17.49 64.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.016 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.18 -15.01 11.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.43 13.95 5.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.487 1.115 . . . . 0.0 112.11 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -104.64 152.47 22.42 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 55.5 m-85 -104.45 150.36 24.62 Favored 'General case' 0 N--CA 1.414 -2.265 0 O-C-N 123.825 0.703 . . . . 0.0 109.364 -174.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CE1' HD23 ' A' ' 58' ' ' LEU . 68.4 m-85 -128.87 146.63 50.89 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.578 ' HA ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -61.64 -37.45 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.477 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -140.53 154.89 46.72 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 29.8 t -61.12 -28.73 69.31 Favored 'General case' 0 C--O 1.206 -1.206 0 O-C-N 123.39 0.431 . . . . 0.0 111.09 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.7 m -62.39 -38.15 88.53 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.18 0.514 . . . . 0.0 110.226 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -71.56 -38.1 71.0 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.5 tm? -67.66 -48.22 67.26 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.125 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -55.83 -43.5 77.06 Favored 'General case' 0 C--N 1.29 -2.019 0 C-N-CA 123.994 0.918 . . . . 0.0 111.407 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.9 m -62.78 -30.22 71.29 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.52 0.676 . . . . 0.0 110.437 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 45.9 t60 -61.03 -30.82 70.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.473 178.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.9 m-85 -90.58 12.56 18.43 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 118.101 -1.44 . . . . 0.0 110.543 -178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.33 10.87 9.46 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 122.127 0.965 . . . . 0.0 110.617 175.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 t -97.07 109.69 22.39 Favored 'General case' 0 N--CA 1.412 -2.336 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -61.0 -42.25 98.1 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -175.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.1 -31.87 65.72 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 121.649 0.738 . . . . 0.0 111.422 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.534 ' O ' HD13 ' A' ' 71' ' ' LEU . 5.3 t60 -66.98 -56.45 10.11 Favored 'General case' 0 CA--C 1.479 -1.768 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.431 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 48.6 mtpt -67.43 -28.57 68.01 Favored 'General case' 0 C--N 1.28 -2.455 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.238 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.06 -45.57 92.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.54 171.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -60.44 -33.78 73.04 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 121.833 0.825 . . . . 0.0 109.393 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 67' ' ' HIS . 10.1 mp -72.09 -35.43 69.21 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.371 178.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -65.32 -41.32 94.11 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.248 0.546 . . . . 0.0 109.831 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -75.31 -21.3 58.55 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.727 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 58.8 tp -66.15 -18.12 65.15 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.909 0.884 . . . . 0.0 111.681 177.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -54.31 160.17 1.74 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.625 0.77 . . . . 0.0 112.267 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.27 -36.66 75.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.459 -178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.7 130.7 46.57 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.308 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.49 150.64 52.06 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.618 2.212 . . . . 0.0 112.064 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -129.3 122.78 30.29 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.5 t -143.72 156.78 44.64 Favored 'General case' 0 N--CA 1.409 -2.481 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 64.5 tt0 -75.13 102.49 4.94 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.521 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -175.94 -59.46 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -94.3 -39.31 10.57 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.592 -1.186 . . . . 0.0 108.442 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -102.2 144.45 30.72 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 63.35 25.38 14.61 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -75.9 96.46 3.73 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.95 88.25 0.82 Allowed 'General case' 0 N--CA 1.421 -1.925 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.906 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.74 -21.11 48.5 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.294 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.17 -175.57 20.58 Favored Glycine 0 N--CA 1.432 -1.618 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.87 93.9 1.7 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.73 -24.88 2.72 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.546 -177.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.2 p -75.76 82.61 2.72 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.524 0.678 . . . . 0.0 111.98 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -168.77 101.18 0.39 Allowed 'General case' 0 CA--C 1.484 -1.56 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.543 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.257 -3.437 0 CA-C-N 114.122 -1.399 . . . . 0.0 110.56 -179.477 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.486 -1.518 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.0 178.82 7.17 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 122.063 1.842 . . . . 0.0 110.614 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -66.36 -25.67 66.91 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 72.45 60.43 0.12 Allowed 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.48 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 1.2 mp0 -63.45 -36.27 83.18 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.007 -1.452 . . . . 0.0 108.805 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 46.5 p90 -72.58 149.47 43.96 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 114.126 -1.397 . . . . 0.0 112.398 -177.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -139.24 133.39 16.09 Favored Pre-proline 0 C--N 1.306 -1.326 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.34 -16.82 56.19 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.012 2.475 . . . . 0.0 114.485 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.57 -28.18 23.47 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.0 mt -76.41 141.75 70.22 Favored Pre-proline 0 C--N 1.31 -1.13 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.26 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.68 118.83 5.74 Favored 'Trans proline' 0 C--O 1.245 0.854 0 C-N-CA 122.443 2.095 . . . . 0.0 110.966 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.34 32.72 84.57 Favored Glycine 0 CA--C 1.499 -0.955 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 33' ' ' PHE . . . 69.99 1.11 31.14 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.382 -0.409 . . . . 0.0 112.326 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.34 88.62 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -84.98 -26.49 27.09 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.212 0.529 . . . . 0.0 111.394 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 82.5 m-70 -102.64 95.21 6.07 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -175.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 147.83 45.3 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.539 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 9.9 t -95.52 117.66 30.81 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.923 -1.49 . . . . 0.0 107.268 173.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.87 -34.36 75.87 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 123.334 0.396 . . . . 0.0 111.671 -176.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.38 -17.73 64.3 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.856 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.6 m -115.31 -18.64 11.02 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.5 20.21 9.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.994 0.918 . . . . 0.0 109.979 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -104.83 143.22 33.43 Favored 'General case' 0 CA--C 1.482 -1.638 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.771 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -104.72 140.87 37.43 Favored 'General case' 0 N--CA 1.399 -2.995 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.427 -176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' CD1' HD23 ' A' ' 58' ' ' LEU . 79.2 m-85 -118.58 147.02 44.14 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.515 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -59.04 -32.18 47.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 124.339 1.056 . . . . 0.0 112.733 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -151.46 154.42 36.56 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.41 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 35.2 t -58.33 -31.85 67.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 123.373 0.669 . . . . 0.0 111.23 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 20.6 m -64.06 -39.44 94.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.09 -39.22 86.73 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-O 120.794 0.331 . . . . 0.0 110.655 177.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.603 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.0 tm? -64.88 -51.8 60.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.292 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 56' ' ' THR . 17.9 ptpt -63.36 -34.93 78.78 Favored 'General case' 0 C--N 1.298 -1.63 0 CA-C-O 120.892 0.377 . . . . 0.0 111.828 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.8 m -68.24 -30.29 69.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.884 0.849 . . . . 0.0 110.049 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 50.5 t60 -59.33 -29.08 67.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.629 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 23.5 m-85 -89.72 1.91 55.48 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.831 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -75.02 -10.7 59.72 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.471 0.653 . . . . 0.0 110.397 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 114.72 11.11 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.848 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.6 -36.25 82.13 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 15.8 t70 -54.57 -38.02 66.19 Favored 'General case' 0 C--O 1.202 -1.435 0 C-N-CA 123.294 0.638 . . . . 0.0 111.467 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.641 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 1.9 t60 -65.6 -54.36 28.86 Favored 'General case' 0 CA--C 1.465 -2.294 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.502 -176.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 71' ' ' LEU . 46.0 mtmt -72.95 -27.58 61.92 Favored 'General case' 0 N--CA 1.395 -3.189 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.043 -174.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -65.1 -41.12 95.26 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.203 168.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 66' ' ' ASP . 2.3 tpt180 -65.27 -27.52 68.7 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -177.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 81.1 mt -71.62 -37.97 70.85 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.946 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -68.25 -28.08 66.9 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.197 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -77.52 -38.08 49.61 Favored 'General case' 0 N--CA 1.408 -2.55 0 C-N-CA 123.923 0.889 . . . . 0.0 110.59 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.5 tp -76.5 -27.05 55.91 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.503 0.668 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 t -121.76 -159.98 0.84 Allowed 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.8 t -109.81 -59.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -130.11 97.96 22.14 Favored Pre-proline 0 N--CA 1.432 -1.365 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.092 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -91.36 26.58 0.45 Allowed 'Trans proline' 0 CA--C 1.517 -0.354 0 C-N-CA 122.734 2.289 . . . . 0.0 111.742 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -87.19 121.3 29.46 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.8 m -108.87 -175.46 2.77 Favored 'General case' 0 N--CA 1.404 -2.739 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -176.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -94.91 13.49 24.69 Favored 'General case' 0 C--N 1.282 -2.362 0 CA-C-O 122.556 1.17 . . . . 0.0 109.3 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -79.75 -20.27 46.72 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.652 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -120.46 25.38 9.82 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.072 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.94 179.99 7.98 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.612 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -133.23 -52.49 0.89 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.947 0.403 . . . . 0.0 111.446 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 62.36 73.08 0.48 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.084 -170.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -176.12 -57.11 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 114.036 -1.438 . . . . 0.0 107.465 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 57.67 82.49 0.13 Allowed 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.314 -1.312 . . . . 0.0 113.24 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.31 -77.14 1.73 Allowed Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.452 -0.794 . . . . 0.0 113.654 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 24.6 mmt 69.46 155.09 0.13 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.28 1.032 . . . . 0.0 111.855 -175.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.75 53.65 0.66 Allowed Glycine 0 C--N 1.303 -1.285 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.7 m -82.31 103.73 12.1 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 t80 70.71 144.26 0.06 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.952 1.301 . . . . 0.0 112.53 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.309 13.4 p . . . . . 0 C--O 1.255 1.353 0 C-N-CA 126.024 1.73 . . . . 0.0 114.471 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 C--O 1.236 0.344 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -62.84 122.24 10.46 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.141 1.894 . . . . 0.0 112.68 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 t30 67.01 -42.74 0.43 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.333 1.853 . . . . 0.0 113.494 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.15 78.27 5.22 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.721 0.772 . . . . 0.0 112.485 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -77.98 -73.91 0.29 Allowed 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 114.418 -1.264 . . . . 0.0 107.673 173.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 51.52 -166.97 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.716 1.206 . . . . 0.0 112.839 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -67.59 128.57 93.56 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.95 -9.73 25.12 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.688 2.259 . . . . 0.0 114.791 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -104.44 -23.93 13.11 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.281 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 57.5 mt -80.67 125.24 80.95 Favored Pre-proline 0 C--N 1.299 -1.609 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.264 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 24.0 Cg_exo -66.48 118.42 5.51 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.571 2.181 . . . . 0.0 110.611 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.93 26.52 71.35 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.397 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.56 11.41 72.46 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.598 -0.301 . . . . 0.0 112.564 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.57 10.39 86.27 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.022 -0.608 . . . . 0.0 111.905 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.4 mt -90.24 -33.91 15.98 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-O 121.219 0.533 . . . . 0.0 111.197 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 70.6 m-70 -96.99 91.71 5.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -174.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' HD3' ' CE2' ' A' ' 51' ' ' TYR . 30.1 ptt180 -144.24 145.39 32.02 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.611 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.579 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 30.0 t -96.05 116.37 28.85 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 174.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.49 -40.12 95.69 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.387 0.43 . . . . 0.0 111.771 -175.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.77 -18.45 64.09 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.788 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.3 m -111.24 -13.28 14.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.11 19.71 7.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.708 0.803 . . . . 0.0 110.933 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -105.32 146.92 28.72 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.06 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' ARG . 96.6 m-85 -105.8 143.52 33.82 Favored 'General case' 0 N--CA 1.398 -3.037 0 CA-C-N 114.272 -1.331 . . . . 0.0 108.783 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CD1' HD23 ' A' ' 58' ' ' LEU . 67.9 m-85 -126.28 144.46 50.79 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.57 -21.81 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.111 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -148.25 153.88 39.32 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.992 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 36.9 t -63.2 -29.85 71.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 122.752 0.421 . . . . 0.0 111.034 -178.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.9 m -65.56 -38.3 89.19 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -66.36 -41.74 89.03 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 121.125 0.488 . . . . 0.0 110.853 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.637 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -66.25 -49.37 67.4 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.173 178.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.58 -35.89 77.97 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.1 m -63.12 -30.87 71.94 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.637 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 58.0 t60 -60.81 -28.77 69.04 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.686 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HB3' ' HD2' ' A' ' 68' ' ' LYS . 16.4 m-85 -93.57 -8.53 40.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.58 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -68.98 -11.58 60.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.366 0.603 . . . . 0.0 111.168 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.8 m -75.02 105.31 5.98 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.4 -39.82 67.63 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.86 0.864 . . . . 0.0 112.067 -175.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.98 -33.19 62.29 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 123.797 0.839 . . . . 0.0 111.869 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.559 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 3.0 t60 -69.54 -49.06 57.92 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.782 -178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.629 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 49.5 mtpt -74.11 -29.37 61.8 Favored 'General case' 0 C--N 1.26 -3.308 0 C-N-CA 119.829 -0.749 . . . . 0.0 109.996 -174.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -57.61 -49.5 76.23 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.839 165.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.62 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 4.1 tpp180 -58.31 -35.15 71.42 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 124.473 1.109 . . . . 0.0 109.096 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt -64.08 -36.1 82.92 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.36 0.664 . . . . 0.0 111.432 -177.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.419 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -78.23 -27.81 47.74 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.742 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 70' ' ' ARG . 79.1 mt -70.7 -19.72 62.73 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.69 0.396 . . . . 0.0 111.03 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.5 m -68.84 -34.49 75.57 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.5 t -82.18 -46.79 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 60.07 82.8 0.22 Allowed Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.087 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -99.11 46.7 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 123.778 2.986 . . . . 0.0 109.486 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.5 t80 74.62 120.15 0.05 OUTLIER 'General case' 0 CA--C 1.503 -0.862 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.933 -172.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.1 m -121.67 118.11 28.34 Favored 'General case' 0 N--CA 1.398 -3.045 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -80.33 0.41 33.06 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 122.453 1.121 . . . . 0.0 109.862 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.9 -11.14 42.73 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 113.752 -1.567 . . . . 0.0 108.899 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -92.6 -37.43 12.46 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.12 -154.54 0.04 OUTLIER 'General case' 0 C--O 1.249 1.041 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.543 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 85.72 92.32 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 125.618 1.567 . . . . 0.0 111.781 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.465 ' HD3' ' H ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -57.32 118.48 5.16 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.111 174.33 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.79 -67.27 0.86 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 64.54 90.69 0.08 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.564 0.745 . . . . 0.0 109.391 -175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.52 27.81 2.5 Favored Glycine 0 C--N 1.295 -1.74 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.103 -176.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.36 154.65 41.37 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.48 -127.92 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.556 -0.354 . . . . 0.0 113.592 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.9 p 49.67 43.47 24.35 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.695 0.76 . . . . 0.0 111.018 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.24 130.44 46.21 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.89 -176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.295 -1.8 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.201 176.551 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 . . . . . 0 CA--C 1.499 -0.989 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.57 162.94 7.53 Favored 'Trans proline' 0 C--O 1.247 0.971 0 C-N-CA 122.434 2.089 . . . . 0.0 112.18 176.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -64.19 -24.33 67.64 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 124.302 1.041 . . . . 0.0 111.017 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 59.0 74.91 0.42 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.627 1.171 . . . . 0.0 113.578 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -81.45 -22.8 37.9 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.503 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 47.8 p90 -91.98 160.54 15.2 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 113.139 -1.846 . . . . 0.0 107.713 175.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 10.1 t70 -84.59 125.6 71.02 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -80.91 -7.23 13.31 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.173 1.915 . . . . 0.0 114.591 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -92.3 -32.55 14.97 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.558 0.694 . . . . 0.0 109.244 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 7.4 mp -91.38 121.15 67.97 Favored Pre-proline 0 C--N 1.3 -1.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' O ' ' HB3' ' A' ' 51' ' ' TYR . 39.7 Cg_exo -56.44 124.47 16.34 Favored 'Trans proline' 0 C--O 1.241 0.631 0 C-N-CA 122.689 2.26 . . . . 0.0 113.133 -177.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 52' ' ' PHE . . . 73.85 22.39 78.18 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.891 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 70.42 5.52 55.33 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.234 -0.483 . . . . 0.0 112.674 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.93 13.88 69.97 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.85 -35.17 11.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 122.765 0.426 . . . . 0.0 110.801 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 78.0 m-70 -102.29 90.38 3.89 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -176.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.13 148.73 45.23 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.752 0.787 . . . . 0.0 111.581 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.67 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 9.3 t -96.48 117.05 30.1 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 170.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.47 -34.14 77.59 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.396 0.435 . . . . 0.0 110.669 -175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.32 -31.23 72.36 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.017 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.9 m -96.04 -23.35 16.85 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 28.56 18.15 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.935 0.874 . . . . 0.0 109.545 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.37 154.6 24.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.997 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 38' ' ' PRO . 54.8 m-85 -104.71 129.3 52.93 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.441 -177.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 75.9 m-85 -113.46 141.64 46.87 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.539 HD13 ' H ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -65.09 -40.36 88.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.906 -176.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.576 ' HB3' HD22 ' A' ' 57' ' ' ASN . 12.4 t70 -135.81 149.16 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.154 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.454 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 48.1 t -59.13 -34.36 71.95 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 123.771 0.669 . . . . 0.0 111.904 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.3 m -63.07 -35.77 81.35 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.525 0.679 . . . . 0.0 109.887 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.576 HD22 ' HB3' ' A' ' 54' ' ' ASP . 34.5 m-80 -68.12 -42.3 80.41 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.066 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 2.5 tm? -66.58 -47.34 73.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.717 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.611 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 8.8 mmpt? -58.24 -44.05 88.09 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.24 175.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.7 m -62.88 -33.57 75.56 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.588 0.709 . . . . 0.0 110.199 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 70.9 t60 -59.14 -29.24 67.27 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.487 -1.233 . . . . 0.0 113.198 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.67 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 19.1 m-85 -97.42 4.74 50.5 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 117.477 -1.689 . . . . 0.0 110.703 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -78.73 -0.97 32.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.1 t -89.62 111.16 22.03 Favored 'General case' 0 N--CA 1.416 -2.142 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -65.95 -25.76 67.27 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.787 -178.057 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.6 m-20 -64.04 -31.65 72.91 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 123.191 0.596 . . . . 0.0 111.362 -178.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.537 ' O ' HD13 ' A' ' 71' ' ' LEU . 2.8 t60 -66.32 -55.28 16.74 Favored 'General case' 0 CA--C 1.478 -1.79 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.367 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -68.3 -28.89 67.58 Favored 'General case' 0 C--N 1.271 -2.835 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.192 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 34.4 ttpt -60.9 -43.82 98.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.943 169.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -34.58 76.92 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 67' ' ' HIS . 9.6 mp -69.13 -40.21 78.43 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.465 0.706 . . . . 0.0 110.861 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -60.37 -43.2 96.81 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.325 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -70.05 -40.9 74.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.646 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 74' ' ' LEU . 5.8 tt -60.4 -32.45 71.34 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 123.569 0.748 . . . . 0.0 109.445 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.1 m 76.52 178.37 0.17 Allowed 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.671 1.189 . . . . 0.0 110.777 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -61.85 -54.38 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -156.43 99.23 2.1 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 120.985 0.422 . . . . 0.0 109.991 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -99.52 -157.45 0.04 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.483 0 C-N-CA 123.262 2.642 . . . . 0.0 110.751 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -83.34 162.84 20.95 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.013 174.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.1 t -145.43 149.74 35.26 Favored 'General case' 0 N--CA 1.396 -3.127 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -81.58 76.61 8.5 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-O 122.607 1.194 . . . . 0.0 109.515 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -143.77 -53.66 0.35 Allowed 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 104.317 -2.475 . . . . 0.0 104.317 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -63.12 -61.58 2.28 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 169.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.86 -165.34 0.1 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 124.448 1.092 . . . . 0.0 112.777 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -137.41 76.69 1.6 Allowed 'General case' 0 N--CA 1.41 -2.464 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -90.13 105.13 17.6 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.635 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -146.22 80.6 1.57 Allowed 'General case' 0 N--CA 1.432 -1.341 0 CA-C-O 121.702 0.763 . . . . 0.0 109.965 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.46 84.97 1.31 Allowed 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.245 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.14 164.27 37.46 Favored Glycine 0 N--CA 1.423 -2.228 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.46 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -112.84 24.9 11.93 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.35 36.6 6.17 Favored Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 106.614 -2.594 . . . . 0.0 106.614 -170.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m -71.74 121.12 18.35 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 113.679 -1.261 . . . . 0.0 111.671 -173.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -147.44 135.74 21.59 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.296 -1.734 0 CA-C-O 118.854 -0.593 . . . . 0.0 109.762 -177.596 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 CA--C 1.493 -1.216 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -60.96 153.95 60.03 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.76 1.64 . . . . 0.0 109.972 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -64.32 -47.34 79.79 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 62.77 77.85 0.31 Allowed 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.498 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.82 -24.1 41.59 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 122.515 1.15 . . . . 0.0 107.991 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.437 ' HB2' ' HA3' ' A' ' 40' ' ' GLY . 38.4 p90 -94.31 174.26 7.23 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 113.865 -1.516 . . . . 0.0 109.387 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' O ' ' HA2' ' A' ' 40' ' ' GLY . 10.3 t70 -98.01 106.93 37.77 Favored Pre-proline 0 C--N 1.317 -0.826 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 177.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 33' ' ' PHE . 32.5 Cg_exo -60.21 -17.15 44.54 Favored 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.237 2.625 . . . . 0.0 115.084 -177.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.69 -39.68 57.07 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.325 0.583 . . . . 0.0 109.561 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 9.4 mp -74.55 140.81 75.63 Favored Pre-proline 0 C--N 1.3 -1.569 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.213 -178.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 37.9 Cg_exo -57.24 120.12 7.83 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.639 2.226 . . . . 0.0 111.167 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.12 73.44 Favored Glycine 0 N--CA 1.436 -1.32 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.378 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' A' ' 33' ' ' PHE . . . 76.27 0.97 67.91 Favored Glycine 0 N--CA 1.433 -1.564 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.76 -2.07 86.91 Favored Glycine 0 N--CA 1.432 -1.586 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -176.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -90.69 -37.07 13.97 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-O 121.131 0.491 . . . . 0.0 110.936 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.645 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 89.0 m-70 -89.16 86.43 6.87 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.52 0.676 . . . . 0.0 110.097 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -134.92 155.63 50.38 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.993 -1.003 . . . . 0.0 112.557 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.508 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 38.1 t -97.06 116.93 30.14 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.0 -39.18 90.06 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.225 0.536 . . . . 0.0 109.731 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -17.8 62.42 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.289 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -116.96 -10.46 10.95 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.2 17.42 6.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.716 0.806 . . . . 0.0 111.237 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -104.91 142.47 34.7 Favored 'General case' 0 CA--C 1.491 -1.313 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -105.08 137.11 43.36 Favored 'General case' 0 N--CA 1.411 -2.375 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.425 ' CD1' HD23 ' A' ' 58' ' ' LEU . 72.4 m-85 -115.58 144.32 44.06 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -62.9 -25.34 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.592 ' HB3' HD22 ' A' ' 57' ' ' ASN . 25.3 t70 -145.7 151.63 38.32 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.645 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 30.5 p -57.14 -33.19 67.14 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 111.484 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.6 m -66.63 -33.24 75.21 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.592 HD22 ' HB3' ' A' ' 54' ' ' ASP . 39.2 m-80 -69.3 -42.04 75.97 Favored 'General case' 0 CA--C 1.497 -1.058 0 CA-C-O 121.415 0.626 . . . . 0.0 109.473 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -62.59 -50.51 71.01 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.688 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.73 -43.17 94.33 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.192 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.1 m -64.62 -31.57 72.85 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.334 0.588 . . . . 0.0 110.051 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.498 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 27.3 t60 -58.85 -30.11 67.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.029 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.686 ' HB3' ' HD3' ' A' ' 68' ' ' LYS . 24.7 m-85 -85.16 3.74 37.69 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 118.476 -1.29 . . . . 0.0 111.038 -178.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -67.7 -7.74 29.55 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.459 0.647 . . . . 0.0 111.002 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.1 t -72.16 97.62 1.98 Allowed 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 169.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.594 ' H ' ' HD3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -65.29 -25.8 67.79 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.471 -177.272 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 16.5 t70 -66.48 -34.69 78.48 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.864 0.84 . . . . 0.0 109.113 176.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.576 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 17.6 t60 -72.86 -47.73 43.59 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.293 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.686 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 51.8 mtmt -68.72 -28.55 66.93 Favored 'General case' 0 C--N 1.285 -2.213 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.483 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 53.5 tptt -56.78 -50.45 72.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 166.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 8.9 mmm180 -53.75 -36.51 62.4 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.294 1.038 . . . . 0.0 111.601 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 67' ' ' HIS . 11.1 mp -74.65 -37.53 62.72 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.146 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.71 -48.24 81.67 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.44 -32.82 74.6 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.639 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.97 -38.34 90.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.324 0.583 . . . . 0.0 109.679 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.7 m -84.22 -11.69 56.06 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.932 -176.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -106.6 -49.7 8.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.192 0.52 . . . . 0.0 110.799 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.29 130.49 25.82 Favored Pre-proline 0 C--N 1.306 -1.304 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.538 -175.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -72.37 157.92 52.38 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 121.809 1.673 . . . . 0.0 109.215 171.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.99 167.79 12.51 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 120.934 0.397 . . . . 0.0 110.869 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.7 p -81.39 -59.77 2.51 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.598 0.713 . . . . 0.0 110.625 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -135.33 48.52 2.24 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.315 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 44.7 tt0 63.86 16.24 9.68 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.004 0.922 . . . . 0.0 109.55 -176.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 40.8 tt0 66.67 17.18 10.56 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.536 1.16 . . . . 0.0 108.651 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.71 81.7 5.93 Favored 'General case' 0 N--CA 1.427 -1.584 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.23 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -98.7 5.61 47.53 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 122.318 1.056 . . . . 0.0 108.493 174.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -136.62 95.51 3.16 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-N 114.118 -1.401 . . . . 0.0 108.23 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.32 -77.47 0.47 Allowed 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.07 88.71 0.08 Allowed 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 124.241 1.017 . . . . 0.0 108.501 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -124.74 -98.5 1.22 Allowed Glycine 0 N--CA 1.426 -2.006 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.0 ttm -150.72 116.61 5.55 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.38 -72.29 0.02 OUTLIER Glycine 0 C--N 1.293 -1.84 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.2 m -93.59 132.9 37.46 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.421 ' CD2' HG12 ' A' ' 94' ' ' VAL . 49.2 p90 -92.65 167.71 11.72 Favored 'General case' 0 N--CA 1.405 -2.676 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.421 HG12 ' CD2' ' A' ' 93' ' ' TYR 0.32 11.5 p . . . . . 0 C--O 1.255 1.384 0 C-N-CA 125.385 1.474 . . . . 0.0 114.325 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -54.48 123.04 12.65 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 122.165 1.91 . . . . 0.0 113.005 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.8 t30 55.66 21.39 4.54 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 125.374 1.47 . . . . 0.0 111.574 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HB1' ' CZ ' ' A' ' 33' ' ' PHE . . . -142.24 87.75 2.05 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.091 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -86.58 128.2 34.97 Favored 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.996 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CZ ' ' HB1' ' A' ' 31' ' ' ALA . 52.1 m-85 -136.84 174.9 10.12 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.732 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' H ' ' HA2' ' A' ' 40' ' ' GLY . 10.5 t70 -128.98 130.72 23.45 Favored Pre-proline 0 C--N 1.302 -1.459 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.0 -12.2 33.49 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.263 1.976 . . . . 0.0 115.146 -175.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -96.68 -28.22 14.42 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.978 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.58 121.95 63.68 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.166 -178.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 51' ' ' TYR . 24.5 Cg_exo -62.03 124.18 13.95 Favored 'Trans proline' 0 C--O 1.245 0.857 0 C-N-CA 122.718 2.279 . . . . 0.0 111.089 177.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.86 20.3 75.93 Favored Glycine 0 CA--C 1.501 -0.792 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' HA2' ' H ' ' A' ' 34' ' ' ASP . . . 64.6 15.05 59.01 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 -177.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.425 ' HA2' ' CD1' ' A' ' 51' ' ' TYR . . . 75.75 5.27 78.7 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.205 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.7 -8.32 54.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.003 0.43 . . . . 0.0 111.825 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.504 ' HB3' HD23 ' A' ' 58' ' ' LEU . 82.7 m-70 -128.46 99.62 5.46 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 36.0 ptt180 -143.85 151.77 40.31 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-O 122.043 0.925 . . . . 0.0 113.089 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.626 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 14.5 t -96.4 117.14 30.26 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.47 -42.24 98.47 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 123.749 0.82 . . . . 0.0 111.061 -175.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.253 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 100.0 m -96.95 -14.04 21.99 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.861 -0.736 . . . . 0.0 112.11 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.47 15.77 4.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.376 1.07 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 48' ' ' CYS . 41.3 mmt180 -104.81 148.11 26.99 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CE1' ' HD3' ' A' ' 44' ' ' ARG . 78.1 m-85 -104.23 141.16 36.77 Favored 'General case' 0 N--CA 1.397 -3.09 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 5.6 m-85 -121.76 152.94 38.91 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.6 pt -60.48 -33.55 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.09 160.26 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.84 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -65.04 -27.44 68.8 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.691 0.796 . . . . 0.0 111.578 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.3 p -60.32 -44.51 95.39 Favored 'General case' 0 N--CA 1.414 -2.232 0 CA-C-O 121.601 0.715 . . . . 0.0 110.027 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -60.3 -43.34 96.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-N 114.544 -1.207 . . . . 0.0 111.653 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.548 ' CD2' ' HB2' ' A' ' 52' ' ' PHE . 3.6 mm? -61.92 -54.46 41.65 Favored 'General case' 0 CA--C 1.479 -1.765 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.63 -36.2 78.05 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.915 -177.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.5 m -71.82 -34.0 68.97 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.71 0.767 . . . . 0.0 109.689 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.35 -37.52 87.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.134 176.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.626 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 39.5 m-85 -83.53 6.43 20.46 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.618 -0.833 . . . . 0.0 111.507 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -71.56 -6.16 38.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.219 0.533 . . . . 0.0 111.148 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -75.65 106.44 7.21 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.98 -37.99 84.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.008 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.88 -37.5 79.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.895 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.597 ' O ' ' HB3' ' A' ' 70' ' ' ARG . 11.3 t60 -70.74 -45.4 64.93 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.119 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HD3' ' HB3' ' A' ' 62' ' ' PHE . 46.0 mtmt -71.64 -28.15 63.58 Favored 'General case' 0 C--N 1.268 -2.958 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.663 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.08 -44.55 96.42 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 168.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 67' ' ' HIS . 28.0 tpt180 -53.97 -33.94 58.39 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.537 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt -68.39 -38.0 80.92 Favored 'General case' 0 N--CA 1.427 -1.606 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.109 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -73.33 -30.76 63.56 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 120.871 0.367 . . . . 0.0 110.107 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -70.04 -45.4 67.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.942 175.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.8 tp -71.66 -18.61 62.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.105 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m 79.14 101.06 0.06 Allowed 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.449 1.499 . . . . 0.0 113.329 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.06 -33.2 46.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.553 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 70.74 108.68 0.03 OUTLIER Pre-proline 0 C--O 1.235 0.298 0 O-C-N 124.437 1.085 . . . . 0.0 110.771 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.83 117.27 4.27 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 121.972 1.781 . . . . 0.0 109.891 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -57.01 144.64 33.32 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.288 0.566 . . . . 0.0 112.222 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.5 m -140.88 100.43 3.83 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.969 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.589 ' HG2' ' H ' ' A' ' 82' ' ' GLU . 54.4 tt0 64.13 -178.22 0.16 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.057 0.943 . . . . 0.0 108.913 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.589 ' H ' ' HG2' ' A' ' 81' ' ' GLN . 9.3 tp10 73.42 -57.8 0.62 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.558 1.543 . . . . 0.0 110.117 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.6 -32.56 20.56 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.317 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 81' ' ' GLN . . . -129.66 95.5 4.0 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -102.84 -1.12 30.27 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.736 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -65.65 142.89 57.89 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.726 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.05 -49.65 6.46 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.02 -63.91 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.973 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.88 77.47 0.25 Allowed Glycine 0 C--N 1.299 -1.479 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.176 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.2 ttt -69.97 115.29 9.02 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.088 0.471 . . . . 0.0 111.493 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.96 -71.26 1.14 Allowed Glycine 0 N--CA 1.433 -1.562 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.7 m 53.98 75.06 0.29 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.78 0.832 . . . . 0.0 110.821 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -106.71 174.21 5.99 Favored 'General case' 0 N--CA 1.418 -2.051 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.425 -173.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.44 -0.944 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.33 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.09 168.4 0.12 Allowed 'Trans proline' 0 C--N 1.367 1.549 0 C-N-CA 123.629 2.886 . . . . 0.0 113.12 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -80.22 74.9 7.03 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-O 122.638 1.209 . . . . 0.0 109.413 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.25 62.56 0.69 Allowed 'General case' 0 C--N 1.277 -2.544 0 CA-C-N 113.022 -1.899 . . . . 0.0 108.772 173.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -73.02 -21.52 60.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 113.905 -1.498 . . . . 0.0 108.741 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -100.26 178.92 4.63 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 113.857 -1.519 . . . . 0.0 108.855 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -134.81 143.41 46.2 Favored Pre-proline 0 C--N 1.299 -1.598 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -73.56 -22.27 18.43 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.088 1.859 . . . . 0.0 114.989 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -101.07 -23.87 14.41 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.85 0.833 . . . . 0.0 109.729 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.83 110.11 52.23 Favored Pre-proline 0 C--N 1.296 -1.726 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.013 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.66 126.32 21.46 Favored 'Trans proline' 0 C--N 1.331 -0.372 0 C-N-CA 123.519 2.813 . . . . 0.0 111.704 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.33 -2.52 66.13 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.405 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.34 9.23 53.84 Favored Glycine 0 N--CA 1.438 -1.185 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.21 25.52 36.66 Favored Glycine 0 N--CA 1.431 -1.669 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 -174.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 mt -119.25 -165.68 1.17 Allowed 'General case' 1 N--CA 1.36 -4.944 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 39.66 66.64 0.55 Allowed 'General case' 0 C--N 1.281 -2.376 0 C-N-CA 126.123 1.769 . . . . 0.0 110.633 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -126.9 144.94 50.85 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 122.081 0.943 . . . . 0.0 113.379 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' A' ' 62' ' ' PHE . 26.5 t -94.82 117.37 30.02 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.02 -33.94 76.89 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.116 0.484 . . . . 0.0 110.697 -176.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.76 65.05 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.854 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.87 -14.45 10.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.77 14.99 5.51 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.332 1.053 . . . . 0.0 112.336 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.36 151.43 24.88 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -104.21 145.18 30.58 Favored 'General case' 0 N--CA 1.407 -2.608 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.433 ' CE1' HD23 ' A' ' 58' ' ' LEU . 61.7 m-85 -120.78 146.02 46.95 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 pt -71.47 -26.83 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.842 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -140.11 153.05 46.59 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.335 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -63.14 -31.32 72.43 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.559 0.744 . . . . 0.0 110.422 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.9 m -61.89 -42.64 99.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -66.86 -41.95 86.5 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 123.662 0.785 . . . . 0.0 110.818 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.652 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 1.7 tm? -65.73 -48.74 70.91 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.729 177.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.19 -42.96 92.1 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.8 m -62.1 -30.05 70.74 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.769 0.795 . . . . 0.0 110.32 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.652 ' HB3' ' O ' ' A' ' 58' ' ' LEU . 41.6 t60 -60.5 -29.9 69.37 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.177 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.467 ' HE1' ' SG ' ' A' ' 45' ' ' CYS . 21.8 m-85 -91.09 8.99 32.79 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.409 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -72.29 -12.7 61.26 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.058 175.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 m -78.81 99.39 6.69 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 171.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -64.37 -25.46 68.04 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -175.292 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 19.0 t70 -61.36 -32.3 72.2 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 122.131 0.967 . . . . 0.0 109.876 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.664 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.2 t60 -68.05 -50.81 52.9 Favored 'General case' 0 CA--C 1.473 -2.002 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.491 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.4 ' HD2' ' HB3' ' A' ' 62' ' ' PHE . 48.3 mtpt -69.9 -28.92 66.01 Favored 'General case' 0 C--N 1.279 -2.463 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.433 -176.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 83.5 tttt -61.58 -43.72 98.34 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.344 170.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -67.38 -29.52 69.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.407 0.622 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 67' ' ' HIS . 77.9 mt -73.95 -46.13 46.0 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.817 -178.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 77' ' ' GLU . 19.5 ptpt -59.46 -48.62 80.94 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.429 -178.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -71.58 -21.56 61.85 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 123.421 0.451 . . . . 0.0 111.537 -175.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.4 tp -75.07 -42.42 56.87 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.639 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.2 m -174.4 -37.11 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -173.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.0 t -57.97 -39.95 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -171.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 37.3 tt0 -154.01 86.52 3.77 Favored Pre-proline 0 C--N 1.306 -1.306 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.656 -177.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -69.43 124.38 11.16 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 123.019 2.48 . . . . 0.0 109.934 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.562 ' OH ' ' HA ' ' A' ' 82' ' ' GLU . 72.8 t80 65.74 107.7 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.975 0.893 . . . . 0.0 108.608 -174.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 t -106.96 107.49 18.54 Favored 'General case' 0 C--N 1.274 -2.717 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.332 -169.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.717 ' HG3' ' HB2' ' A' ' 84' ' ' ALA 0.374 26.7 pt20 35.97 72.58 0.1 Allowed 'General case' 0 C--O 1.24 0.586 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 176.18 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HA ' ' OH ' ' A' ' 79' ' ' TYR . 31.1 tt0 56.55 29.56 15.71 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.706 1.202 . . . . 0.0 110.385 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 70.12 86.43 0.13 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 125.016 1.326 . . . . 0.0 109.723 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.717 ' HB2' ' HG3' ' A' ' 81' ' ' GLN . . . -82.17 173.69 11.89 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 113.631 -1.622 . . . . 0.0 111.768 -174.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 65.11 22.35 12.29 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -113.37 116.67 30.03 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.89 89.15 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.704 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 58.38 80.65 0.17 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.158 0.911 . . . . 0.0 111.755 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.46 -102.65 0.3 Allowed Glycine 0 N--CA 1.436 -1.323 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.977 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 tpt 64.37 96.32 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.918 0.887 . . . . 0.0 111.166 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.85 -3.24 20.16 Favored Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.316 -0.945 . . . . 0.0 113.482 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.9 p -80.78 102.29 9.88 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 121.048 0.452 . . . . 0.0 111.263 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -152.79 134.33 14.47 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.532 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.294 -1.824 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.239 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_